MoNA MS database records for Caffeine
Massbank ID | Instrument | Inst. type | MS type | Collision energy | Ion type | Ion mode | MS level |
---|---|---|---|---|---|---|---|
MoNA001768 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 10 | [M+H]+ | positive | MS2 |
MoNA010024 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA010027 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA010964 | Agilent 6550 iFunnel | Q-TOF | - | 10 | [M+H]+ | positive | - |
PS004501 | TQD, Waters | Flow-injection QqQ/MS | ESI | 10 | [M+H]+ | positive | MS2 |
BML00696 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | 10 ev | [M+H]+ | positive | MS2 |
AU276601 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 10 eV | [M+H]+ | positive | MS2 |
FIO00568 | maXis (Bruker Daltonics) | LC-ESI-QTOF | ESI | 10 eV | [M+H]+ | positive | MS2 |
MoNA032632 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA036447 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
KO002537 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M+H]+ | positive | MS2 |
LU119901 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 15 | [M+H]+ | positive | MS2 |
PM018509 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
PM018511 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
EA030302 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 15 % (nominal) | [M+H]+ | positive | MS2 |
EA030308 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 15 % (nominal) | [M+H]+ | positive | MS2 |
MoNA001767 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 20 | [M+H]+ | positive | MS2 |
MoNA010965 | Agilent 6550 iFunnel | Q-TOF | - | 20 | [M+H]+ | positive | - |
PS004502 | TQD, Waters | Flow-injection QqQ/MS | ESI | 20 | [M+H]+ | positive | MS2 |
PM016402 | MSD 1100 | QIT | ESI | 20% | [M+H]+ | positive | MS2 |
BML00705 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | 20 ev | [M+H]+ | positive | MS2 |
AU276602 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 20 eV | [M+H]+ | positive | MS2 |
FIO00569 | maXis (Bruker Daltonics) | LC-ESI-QTOF | ESI | 20 eV | [M+H]+ | positive | MS2 |
MoNA032639 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA036448 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
KO002538 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M+H]+ | positive | MS2 |
PB003781 | TSQ 7000 | LC-ESI-QQ | ESI | 25 eV | [M+H]+ | positive | MS2 |
LU119902 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 30 | [M+H]+ | positive | MS2 |
MoNA010025 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA010028 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA010966 | Agilent 6550 iFunnel | Q-TOF | - | 30 | [M+H]+ | positive | - |
PS004503 | TQD, Waters | Flow-injection QqQ/MS | ESI | 30 | [M+H]+ | positive | MS2 |
PM018510 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
PM018512 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
AU276603 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 30 eV | [M+H]+ | positive | MS2 |
FIO00570 | maXis (Bruker Daltonics) | LC-ESI-QTOF | ESI | 30 eV | [M+H]+ | positive | MS2 |
PB003782 | TSQ 7000 | LC-ESI-QQ | ESI | 30 eV | [M+H]+ | positive | MS2 |
EA030303 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 30 % (nominal) | [M+H]+ | positive | MS2 |
EA030309 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 30 % (nominal) | [M+H]+ | positive | MS2 |
KO002539 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M+H]+ | positive | MS2 |
PR100026 | UPLC Q-Tof Premier, Waters | LC-ESI-QTOF | ESI | 30 V | [M+H]+ | positive | MS2 |
PT100453 | Q-Tof Premier, Waters | LC-Q-TOF/MS | ESI | 30 V | [M+H]+ | positive | MS2 |
VF-NPL-LTQ000210 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | -- | positive | MS2-MS4 Composite |
VF-NPL-LTQ000687 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | positive | MS2 |
VF-NPL-LTQ000688 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | positive | MS2-MS4 Composite |
VF-NPL-LTQ000690 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2-MS3 Composite |
FiehnHILIC001810 | SCIEX TripleTOF 6600 | LC-ESI-QTOF | - | 35 eV | [M+H]+ | positive | MS2 |
PB003783 | TSQ 7000 | LC-ESI-QQ | ESI | 35 eV | [M+H]+ | positive | MS2 |
KW107902 | Orbitrap Classic, Thermo Scien... | LC-ESI-ITFT | ESI | 35 eV FT-MS | [M+H]+ | positive | MS2 |
KW107903 | Orbitrap Classic, Thermo Scien... | LC-ESI-ITFT | ESI | 35 eV FT-MS II | [M+H]+ | positive | MS2 |
KW107901 | Orbitrap Classic, Thermo Scien... | LC-ESI-ITFT | ESI | 35 eV IT-MS | [M+H]+ | positive | MS2 |
VF-NPL-QEHF000451 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF000454 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF001081 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF001084 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF002923 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
SM866601 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 35 (nominal) | [M+H]+ | positive | MS2 |
UF408903 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 35 (nominal) | [M+H]+ | positive | MS2 |
EA030301 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 35 % (nominal) | [M+H]+ | positive | MS2 |
EA030314 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 35 % (nominal) | [M+H]+ | positive | MS2 |
UA005001 | LTQ Orbitrap XL Thermo Scienti... | ESI-ITFT | ESI | 35 % (nominal) | [M+H]+ | positive | MS2 |
UA005003 | LTQ Orbitrap XL Thermo Scienti... | APCI-ITFT | APCI | 35 % (nominal) | [M+H]+ | positive | MS2 |
MoNA001769 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 40 | [M+H]+ | positive | MS2 |
MoNA010967 | Agilent 6550 iFunnel | Q-TOF | - | 40 | [M+H]+ | positive | - |
MT000087 | LTQ XL, Thermo Finnigan | LC-ESI-IT | ESI | 40 | [M+H]+ | positive | MS2 |
PS004504 | TQD, Waters | Flow-injection QqQ/MS | ESI | 40 | [M+H]+ | positive | MS2 |
BML00714 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | 40 ev | [M+H]+ | positive | MS2 |
FIO00571 | maXis (Bruker Daltonics) | LC-ESI-QTOF | ESI | 40 eV | [M+H]+ | positive | MS2 |
MoNA032637 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA036446 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
KO002540 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M+H]+ | positive | MS2 |
LU119903 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 45 | [M+H]+ | positive | MS2 |
VF-NPL-QEHF000452 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF000455 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF001082 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF001085 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF002924 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
EA030304 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 45 % (nominal) | [M+H]+ | positive | MS2 |
EA030310 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 45 % (nominal) | [M+H]+ | positive | MS2 |
PS004505 | TQD, Waters | Flow-injection QqQ/MS | ESI | 50 | [M+H]+ | positive | MS2 |
FIO00572 | maXis (Bruker Daltonics) | LC-ESI-QTOF | ESI | 50 eV | [M+H]+ | positive | MS2 |
KO002541 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M+H]+ | positive | MS2 |
UF408901 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 55 (nominal) | [M+H]+ | positive | MS2 |
UF408904 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 55 (nominal) | [M+H]+ | positive | MS2 |
LU119904 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 60 | [M+H]+ | positive | MS2 |
PS004506 | TQD, Waters | Flow-injection QqQ/MS | ESI | 60 | [M+H]+ | positive | MS2 |
EA030305 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 60 % (nominal) | [M+H]+ | positive | MS2 |
EA030311 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 60 % (nominal) | [M+H]+ | positive | MS2 |
KW107904 | Orbitrap Classic, Thermo Scien... | LC-ESI-ITFT | ESI | 65 eV FT-MS | [M+H]+ | positive | MS2 |
VF-NPL-QEHF000453 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF000456 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF001083 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF001086 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF002925 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
MoNA016622 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M]+ | positive | - |
MoNA016667 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M+H]+ | positive | - |
LU119905 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 75 | [M+H]+ | positive | MS2 |
EA030306 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 75 % (nominal) | [M+H]+ | positive | MS2 |
EA030312 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 75 % (nominal) | [M+H]+ | positive | MS2 |
UF408902 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 80 (nominal) | [M+H]+ | positive | MS2 |
LU119906 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 90 | [M+H]+ | positive | MS2 |
EA030307 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 90 % (nominal) | [M+H]+ | positive | MS2 |
EA030313 | LTQ Orbitrap XL Thermo Scienti... | LC-ESI-ITFT | ESI | 90 % (nominal) | [M+H]+ | positive | MS2 |
FiehnHILIC000237 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA037382 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA038710 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA024166 | Thermo Scientific Orbitrap ID-... | LC-ESI-Orbitrap | ESI | HCD (NCE 40%) | [M+H]+ | positive | MS2 |
AU276606 | Bruker maXis Impact | LC-ESI-QTOF | ESI | Ramp 14.5-21.8 eV | [M+H]+ | positive | MS2 |
PT100450 | Q-Tof Premier, Waters | LC-Q-TOF/MS | ESI | Ramp 5-45 V | [M+H]+ | positive | MS2 |
PR100025 | UPLC Q-Tof Premier, Waters | LC-ESI-QTOF | ESI | Ramp 5-60 V | [M+H]+ | positive | MS2 |
BAF_UVA_POS000648 | UPLC Q-Tof Premier, Waters | - | - | - | - | - | - |
BAF_UVA_POS001581 | UPLC Q-Tof Premier, Waters | - | - | - | - | - | - |
BAF_UVA_POS001582 | UPLC Q-Tof Premier, Waters | - | - | - | - | - | - |
BML80860 | Agilent 1200 RRLC; Agilent 652... | LC-ESI-QTOF | - | - | - | positive | MS1 |
BML80862 | Agilent 1200 RRLC; Agilent 652... | LC-APCI-QTOF | - | - | - | positive | MS1 |
CCMSLIB00000078857 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000577942 | Q-Exactive Plus | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000845166 | Maxis II HD Q-TOF Bruker | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00003142435 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00004679245 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00004681492 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005435812 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005464484 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005464485 | Orbitrap | - | - | - | [M+Na]+ | positive | MS2 |
CCMSLIB00005720384 | qTof | - | - | - | [M+H]+ | positive | MS2 |
EAD000081 | qTof | - | - | - | [M+H]+ | - | - |
HMDB0001847_c_ms_1536 | qTof | GC-MS | - | - | - | - | - |
HMDB0001847_ei_ms_937 | qTof | - | - | - | - | - | - |
HMDB0001847_ms_ms_1702 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0001847_ms_ms_1703 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0001847_ms_ms_1704 | qTof | Quattro_QQQ | - | - | - | positive | - |
JEL00040 | JMS-S3000 | MALDI-TOFTOF | - | - | [M+H]+ | positive | MS2 |
JP000558 | HITACHI M-80 | EI-B | - | - | [M]+* | positive | MS1 |
JP003158 | Unknown | CI-B | - | - | - | positive | MS1 |
JP003477 | HITACHI M-60 | EI-B | - | - | [M]+* | positive | MS1 |
JP003511 | HITACHI M-68 | EI-B | - | - | [M]+* | positive | MS1 |
JP003788 | HITACHI M-60 | CI-B | - | - | - | positive | MS1 |
KZ000017 | Pegasus III TOF-MS system, Lec... | GC-EI-TOF | - | - | - | positive | MS1 |
KZ000113 | Pegasus III TOF-MS system, Lec... | GC-EI-TOF | - | - | - | positive | MS1 |
MoNA010023 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
MoNA010026 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
OUF00133 | Pegasus III TOF-MS system, Lec... | GC-EI-TOF | - | - | - | positive | MS1 |
PR010011 | Pegasus III TOF-MS system, Lec... | GC-EI-TOF | - | - | - | positive | MS1 |
WA000948 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000949 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000950 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000951 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000952 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |