MoNA MS database records for Theobromine
Massbank ID | Instrument | Inst. type | MS type | Collision energy | Ion type | Ion mode | MS level |
---|---|---|---|---|---|---|---|
MoNA002109 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 10 | [M+H]+ | positive | MS2 |
MoNA010078 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA010081 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA011356 | Agilent 6550 iFunnel | Q-TOF | - | 10 | [M+H]+ | positive | - |
RP012201 | maXis plus UHR-ToF-MS, Bruker ... | LC-ESI-QTOF | ESI | 10 | [M+H]+ | positive | MS2 |
BML01074 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | 10 ev | [M+H]+ | positive | MS2 |
CO000476 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 10 eV | [M+H]+ | positive | MS2 |
MoNA032264 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA036175 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
KO004122 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M+H]+ | positive | MS2 |
LU094101 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 15 | [M+H]+ | positive | MS2 |
LU094151 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 15 | [M-H]- | negative | MS2 |
PM018501 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
PM018503 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
MoNA002110 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 20 | [M+H]+ | positive | MS2 |
MoNA011357 | Agilent 6550 iFunnel | Q-TOF | - | 20 | [M+H]+ | positive | - |
RP012202 | maXis plus UHR-ToF-MS, Bruker ... | LC-ESI-QTOF | ESI | 20 | [M+H]+ | positive | MS2 |
BML01082 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | 20 ev | [M+H]+ | positive | MS2 |
CO000477 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 20 eV | [M+H]+ | positive | MS2 |
MoNA032265 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA036174 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
KO004123 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M+H]+ | positive | MS2 |
LU094102 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 30 | [M+H]+ | positive | MS2 |
LU094152 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 30 | [M-H]- | negative | MS2 |
MoNA010079 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA010082 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA011358 | Agilent 6550 iFunnel | Q-TOF | - | 30 | [M+H]+ | positive | - |
PM018502 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
PM018504 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
CO000478 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 30 eV | [M+H]+ | positive | MS2 |
KO004124 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M+H]+ | positive | MS2 |
VF-NPL-LTQ007750 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | positive | MS2-MS3 Composite |
VF-NPL-LTQ007751 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2 |
VF-NPL-LTQ007752 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2-MS2 Composite |
EMBL-MCF_spec61644 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
VF-NPL-QEHF028126 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF028129 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF028132 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF028135 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF028138 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+NH4]+ | positive | MS2 |
MoNA002113 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 40 | [M+H]+ | positive | MS2 |
MoNA011359 | Agilent 6550 iFunnel | Q-TOF | - | 40 | [M+H]+ | positive | - |
RP012203 | maXis plus UHR-ToF-MS, Bruker ... | LC-ESI-QTOF | ESI | 40 | [M+H]+ | positive | MS2 |
CO000479 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 40 eV | [M+H]+ | positive | MS2 |
MoNA032266 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA036172 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
KO004125 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M+H]+ | positive | MS2 |
LU094103 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 45 | [M+H]+ | positive | MS2 |
LU094153 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 45 | [M-H]- | negative | MS2 |
VF-NPL-QEHF028127 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF028130 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF028133 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF028136 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF028139 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+NH4]+ | positive | MS2 |
CO000480 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 50 eV | [M+H]+ | positive | MS2 |
KO004126 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M+H]+ | positive | MS2 |
LU094104 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 60 | [M+H]+ | positive | MS2 |
LU094154 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 60 | [M-H]- | negative | MS2 |
VF-NPL-QEHF028128 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF028131 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF028134 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+Na]+ | positive | MS2 |
VF-NPL-QEHF028137 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+K]+ | positive | MS2 |
VF-NPL-QEHF028140 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+NH4]+ | positive | MS2 |
MoNA016802 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M+H]+ | positive | - |
LU094105 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 75 | [M+H]+ | positive | MS2 |
LU094155 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 75 | [M-H]- | negative | MS2 |
LU094106 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 90 | [M+H]+ | positive | MS2 |
LU094156 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 90 | [M-H]- | negative | MS2 |
MoNA037224 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA038605 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA023976 | Thermo Scientific Orbitrap ID-... | LC-ESI-Orbitrap | ESI | HCD (NCE 40%) | [M+H]+ | positive | MS2 |
BAF_UVA_POS000173 | Thermo Scientific Orbitrap ID-... | - | - | - | - | - | - |
BAF_UVA_POS001185 | Thermo Scientific Orbitrap ID-... | - | - | - | - | - | - |
BAF_UVA_POS001186 | Thermo Scientific Orbitrap ID-... | - | - | - | - | - | - |
BAF_UVA_POS001187 | Thermo Scientific Orbitrap ID-... | - | - | - | - | - | - |
BML82245 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | - | - | positive | MS1 |
BML82247 | Agilent 1200 RRLC; Agilent 652... | LC-APCI-QTOF | - | - | - | positive | MS1 |
Bruker_HCD_library001095 | Agilent 1200 RRLC; Agilent 652... | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000424791 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000578038 | Q-Exactive Plus | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000578285 | Q-Exactive Plus | - | - | - | [M-H]- | negative | MS2 |
CCMSLIB00000579214 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00003142439 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00004684345 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005464198 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005720480 | qTof | - | - | - | [M+H]+ | positive | MS2 |
EAD000063 | qTof | - | - | - | [M+H]+ | - | - |
HMDB0002825_c_ms_1729 | qTof | GC-MS | - | - | - | - | - |
HMDB0002825_ei_ms_1563 | qTof | - | - | - | - | - | - |
HMDB0002825_ms_ms_2143 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0002825_ms_ms_2144 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0002825_ms_ms_2145 | qTof | Quattro_QQQ | - | - | - | positive | - |
JP002808 | Unknown | EI-B | - | - | [M]+* | positive | MS1 |
MoNA010077 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
MoNA010080 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
MoNA041158 | Agilent 6550 iFunnel | - | Electron Impact (EI) | - | - | positive | MS1 |