| Analysis | Metabolite Name | Measured Value | Units | treatment | pool aliquot |
|---|---|---|---|---|---|
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 74 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 96 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 104 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 115 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 122 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 286 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 327 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 365 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 501 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 508 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 535 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 603 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 691 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 806 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 868 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 892 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 902 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 902 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 928 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 928 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 931 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 962 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1049 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1051 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1052 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1063 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1064 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1065 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1066 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1072 | Peak height | Reduction | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1091 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1092 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1103 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1127 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1150 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1195 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1278 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1309 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1341 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1357 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1358 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1461 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1526 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1536 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1560 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1566 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1590 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1656 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1681 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1698 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1711 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1713 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1748 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1774 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1784 | Peak height | LumB | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1790 | Peak height | LumA | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1828 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1840 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1840 | Peak height | Reduction | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1862 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1881 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1902 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1928 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 1966 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2035 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2062 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2092 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2096 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2157 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2195 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2304 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2313 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2331 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2354 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2368 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2410 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2414 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2434 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2477 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2534 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2547 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2618 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2677 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2680 | Peak height | Basal | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2698 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2719 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2734 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2754 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2759 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2763 | Peak height | Reduction | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2771 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2776 | Peak height | Reduction | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2788 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2802 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2895 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2919 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2941 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 2977 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3022 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3028 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3034 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3056 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3173 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3173 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3243 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3243 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3259 | Peak height | LumA | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3300 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3308 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3324 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3488 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3592 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3592 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3627 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3635 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3670 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3672 | Peak height | Basal | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3675 | Peak height | LumB | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3701 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3711 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3715 | Peak height | LumB | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3720 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3742 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3744 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3746 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3756 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3760 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3768 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3797 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3810 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3826 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3888 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3909 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3931 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3952 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 3965 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4100 | Peak height | DCIS | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4104 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4111 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4141 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4153 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4160 | Peak height | DCIS | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4219 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4235 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4318 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4320 | Peak height | Basal | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4330 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4347 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4368 | Peak height | Basal | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4408 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4523 | Peak height | HER2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4594 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4604 | Peak height | LumB | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4632 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4658 | Peak height | Total Pool1 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4718 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4758 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4845 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4896 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 4909 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5093 | Peak height | HER2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5094 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5117 | Peak height | DCIS | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5415 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5422 | Peak height | DCIS | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5453 | Peak height | HER2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5927 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 5948 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6116 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6145 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6485 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6564 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6601 | Peak height | HER2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6681 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6801 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6914 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6929 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 6953 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 8474 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 8604 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 9531 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 10307 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 10549 | Peak height | Reduction | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 11037 | Peak height | Total Pool2 | yes |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 12323 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 13019 | Peak height | LumA | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 16895 | Peak height | Basal | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 22939 | Peak height | DCIS | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 30757 | Peak height | LumB | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | 34351 | Peak height | HER2 | no |
| MS positive ion mode | N-acetyl-L-aspartic acid 1 | Peak height | LumA | yes |
- UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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