MoNA MS database records for Theophylline
Massbank ID | Instrument | Inst. type | MS type | Collision energy | Ion type | Ion mode | MS level |
---|---|---|---|---|---|---|---|
JP002818 | Unknown | EI-B | - | - | [M]+* | positive | MS1 |
JP003188 | Unknown | CI-B | - | - | - | positive | MS1 |
JP011292 | HITACHI M-2500 | EI-B | - | - | [M]+* | positive | MS1 |
MoNA041159 | HITACHI M-2500 | - | Electron Impact (EI) | - | - | positive | MS1 |
WA000305 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000306 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000307 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000308 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000309 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA000310 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001340 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001341 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001342 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001343 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001344 | ZQ, Waters | LC-ESI-Q | ESI | - | - | positive | MS1 |
WA001345 | ZQ, Waters | LC-ESI-Q | ESI | - | - | negative | MS1 |
AU111401 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 10 eV | [M+H]+ | positive | MS2 |
AU111402 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 20 eV | [M+H]+ | positive | MS2 |
AU111403 | Bruker maXis Impact | LC-ESI-QTOF | ESI | Ramp 17.3-26.0 eV | [M+H]+ | positive | MS2 |
AU111404 | Bruker maXis Impact | LC-ESI-QTOF | ESI | 40 eV | [M+H]+ | positive | MS2 |
Bruker_HCD_library000035 | Bruker maXis Impact | - | - | - | [M-H]- | negative | MS2 |
Bruker_HCD_library001036 | Bruker maXis Impact | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000424785 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000577926 | Q-Exactive Plus | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00000578162 | Q-Exactive Plus | - | - | - | [M-H]- | negative | MS2 |
CCMSLIB00003142438 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005464206 | Orbitrap | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005464207 | Orbitrap | - | - | - | [M+Na]+ | positive | MS2 |
CCMSLIB00005464247 | Orbitrap | - | - | - | [M-H]- | negative | MS2 |
CCMSLIB00005464248 | Orbitrap | - | - | - | [2M-2H+Na]- | negative | MS2 |
CCMSLIB00005720373 | qTof | - | - | - | [M+H]+ | positive | MS2 |
CCMSLIB00005720664 | qTof | - | - | - | [M-H]- | negative | MS2 |
CO000046 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 10 eV | [M+H]+ | positive | MS2 |
CO000047 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 20 eV | [M+H]+ | positive | MS2 |
CO000048 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 30 eV | [M+H]+ | positive | MS2 |
CO000049 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 40 eV | [M+H]+ | positive | MS2 |
CO000050 | Micromass Q-TOF II | LC-ESI-QTOF | ESI | 50 eV | [M+H]+ | positive | MS2 |
EMBL-MCF_spec104464 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M+H]+ | positive | MS2 |
EMBL-MCF_spec32832 | Thermo Q-Exactive Plus | LC-ESI-QFT | - | 35.0 eV | [M-H]- | negative | MS2 |
EQ363201 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 15 (nominal) | [M+H]+ | positive | MS2 |
EQ363202 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 30 (nominal) | [M+H]+ | positive | MS2 |
EQ363203 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 45 (nominal) | [M+H]+ | positive | MS2 |
EQ363204 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 60 (nominal) | [M+H]+ | positive | MS2 |
EQ363205 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 75 (nominal) | [M+H]+ | positive | MS2 |
EQ363206 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 90 (nominal) | [M+H]+ | positive | MS2 |
EQ363207 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 120 (nominal) | [M+H]+ | positive | MS2 |
EQ363208 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 150 (nominal) | [M+H]+ | positive | MS2 |
EQ363209 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 180 (nominal) | [M+H]+ | positive | MS2 |
EQ363251 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 15 (nominal) | [M-H]- | negative | MS2 |
EQ363252 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 30 (nominal) | [M-H]- | negative | MS2 |
EQ363253 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 45 (nominal) | [M-H]- | negative | MS2 |
EQ363254 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 60 (nominal) | [M-H]- | negative | MS2 |
EQ363255 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 75 (nominal) | [M-H]- | negative | MS2 |
EQ363256 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 90 (nominal) | [M-H]- | negative | MS2 |
EQ363257 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 120 (nominal) | [M-H]- | negative | MS2 |
EQ363258 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 150 (nominal) | [M-H]- | negative | MS2 |
EQ363259 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 180 (nominal) | [M-H]- | negative | MS2 |
FiehnHILIC001534 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
FiehnHILIC002357 | SCIEX TripleTOF 6600 | LC-ESI-QTOF | - | 35 eV | [M+H]+ | positive | MS2 |
FiehnHILIC003009 | SCIEX TripleTOF 6600 | LC-ESI-QTOF | - | 35 eV | [M-H]- | negative | MS2 |
KO000310 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M-H]- | negative | MS2 |
KO000311 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M-H]- | negative | MS2 |
KO000312 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M-H]- | negative | MS2 |
KO000313 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M-H]- | negative | MS2 |
KO000314 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M-H]- | negative | MS2 |
KO001904 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M-H]- | negative | MS2 |
KO001905 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M-H]- | negative | MS2 |
KO001906 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M-H]- | negative | MS2 |
KO001907 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M-H]- | negative | MS2 |
KO001908 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M-H]- | negative | MS2 |
KO002408 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M+H]+ | positive | MS2 |
KO002409 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M+H]+ | positive | MS2 |
KO002410 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M+H]+ | positive | MS2 |
KO002411 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M+H]+ | positive | MS2 |
KO002412 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M+H]+ | positive | MS2 |
KO004132 | API3000, Applied Biosystems | LC-ESI-QQ | - | 10 V | [M+H]+ | positive | MS2 |
KO004133 | API3000, Applied Biosystems | LC-ESI-QQ | - | 20 V | [M+H]+ | positive | MS2 |
KO004134 | API3000, Applied Biosystems | LC-ESI-QQ | - | 30 V | [M+H]+ | positive | MS2 |
KO004135 | API3000, Applied Biosystems | LC-ESI-QQ | - | 40 V | [M+H]+ | positive | MS2 |
KO004136 | API3000, Applied Biosystems | LC-ESI-QQ | - | 50 V | [M+H]+ | positive | MS2 |
LU111801 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 15 | [M+H]+ | positive | MS2 |
LU111802 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 30 | [M+H]+ | positive | MS2 |
LU111803 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 45 | [M+H]+ | positive | MS2 |
LU111804 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 60 | [M+H]+ | positive | MS2 |
LU111805 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 75 | [M+H]+ | positive | MS2 |
LU111806 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 90 | [M+H]+ | positive | MS2 |
LU111851 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 15 | [M-H]- | negative | MS2 |
LU111852 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 30 | [M-H]- | negative | MS2 |
LU111853 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 45 | [M-H]- | negative | MS2 |
LU111854 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 60 | [M-H]- | negative | MS2 |
LU111855 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 75 | [M-H]- | negative | MS2 |
LU111856 | Q Exactive Orbitrap (Thermo Sc... | LC-ESI-QFT | ESI | 90 | [M-H]- | negative | MS2 |
MoNA001713 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 10 | [M+H]+ | positive | MS2 |
MoNA001714 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 20 | [M+H]+ | positive | MS2 |
MoNA001715 | Agilent QTOF 6550 | LC-ESI-QTOF | - | 40 | [M+H]+ | positive | MS2 |
MoNA010071 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
MoNA010072 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA010073 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA010074 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | - | [M+H]+ | Positive | MS2 |
MoNA010075 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 10 | [M+H]+ | Positive | MS2 |
MoNA010076 | Agilent 6550 iFunnel | LC-ESI-QTOF | - | 30 | [M+H]+ | Positive | MS2 |
MoNA024230 | Thermo Scientific Orbitrap ID-... | LC-ESI-Orbitrap | ESI | HCD (NCE 40%) | [M+H]+ | positive | MS2 |
MoNA032629 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA032630 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA032631 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA032872 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA032874 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA032875 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA034760 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M-H]- | negative | MS2 |
MoNA034762 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M-H]- | negative | MS2 |
MoNA034763 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M-H]- | negative | MS2 |
MoNA035056 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M-H]- | negative | MS2 |
MoNA035061 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M-H]- | negative | MS2 |
MoNA035063 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M-H]- | negative | MS2 |
MoNA036440 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA036444 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA036451 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA036585 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 10 eV | [M+H]+ | positive | MS2 |
MoNA036589 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 20 eV | [M+H]+ | positive | MS2 |
MoNA036590 | Agilent qTOF 6545 | LC-ESI-QTOF | - | 40 eV | [M+H]+ | positive | MS2 |
MoNA037381 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA037415 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA038130 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
MoNA038167 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M-H]- | negative | MS2 |
MoNA038707 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MoNA038734 | Thermo Q Exactive HF | LC-ESI-QFT | - | HCD (NCE 20-30-40%) | [M+H]+ | positive | MS2 |
MT000080 | LTQ XL, Thermo Finnigan | LC-ESI-IT | ESI | 40 | [M-H]- | negative | MS2 |
PM018505 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
PM018506 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
PM018507 | Micromass Quattromicro | QqQ | ESI | 15eV | [M+H]+ | positive | MS2 |
PM018508 | Micromass Quattromicro | QqQ | ESI | 30eV | [M+H]+ | positive | MS2 |
PM018513 | Micromass Quattromicro | QqQ | ESI | 45V | [M-H]- | negative | MS2 |
PM018514 | Micromass Quattromicro | QqQ | ESI | 60V | [M-H]- | negative | MS2 |
PM018515 | Micromass Quattromicro | QqQ | ESI | 15eV | [M-H]- | negative | MS2 |
PM018516 | Micromass Quattromicro | QqQ | ESI | 30eV | [M-H]- | negative | MS2 |
PS099201 | TQD, Waters | Flow-injection QqQ/MS | ESI | 10 | [M+H]+ | positive | MS2 |
PS099202 | TQD, Waters | Flow-injection QqQ/MS | ESI | 20 | [M+H]+ | positive | MS2 |
PS099203 | TQD, Waters | Flow-injection QqQ/MS | ESI | 30 | [M+H]+ | positive | MS2 |
PS099204 | TQD, Waters | Flow-injection QqQ/MS | ESI | 40 | [M+H]+ | positive | MS2 |
PS099205 | TQD, Waters | Flow-injection QqQ/MS | ESI | 50 | [M+H]+ | positive | MS2 |
PS099206 | TQD, Waters | Flow-injection QqQ/MS | ESI | 60 | [M+H]+ | positive | MS2 |
SM815601 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 35 (nominal) | [M+H]+ | positive | MS2 |
SM815654 | Q Exactive Plus Orbitrap Therm... | LC-ESI-QFT | ESI | 35 (nominal) | [M-H]- | negative | MS2 |
VF-NPL-LTQ000441 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | positive | MS2 |
VF-NPL-LTQ006095 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M+H | positive | MS2 |
VF-NPL-QEHF002791 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF002792 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF002793 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M-H]- | negative | MS2 |
VF-NPL-QEHF002794 | Thermo Q Exactive HF | ESI-QFT | - | 35HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF002795 | Thermo Q Exactive HF | ESI-QFT | - | 45HCD | [M+H]+ | positive | MS2 |
VF-NPL-QEHF002796 | Thermo Q Exactive HF | ESI-QFT | - | 65HCD | [M+H]+ | positive | MS2 |
VF-NPL-QTOF009829 | Agilent 6530 Q-TOF | LC-ESI-QTOF | - | 10 V | [M-H]- | negative | MS2 |
VF-NPL-QTOF009830 | Agilent 6530 Q-TOF | LC-ESI-QTOF | - | 20 V | [M-H]- | negative | MS2 |
VF-NPL-QTOF009831 | Agilent 6530 Q-TOF | LC-ESI-QTOF | - | 40 V | [M-H]- | negative | MS2 |
VF-NPL-LTQ000442 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | positive | MS2-MS3 Composite |
VF-NPL-LTQ006096 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M+H | positive | MS2-MS3 Composite |
VF-NPL-LTQ000444 | Thermo Finnigan LTQ | Linear Ion Trap | - | 35 | M-H | negative | MS2-MS4 Composite |
BAF_UVA_POS000227 | Thermo Finnigan LTQ | - | - | - | - | - | - |
BAF_UVA_POS001555 | Thermo Finnigan LTQ | - | - | - | - | - | - |
BAF_UVA_POS001556 | Thermo Finnigan LTQ | - | - | - | - | - | - |
CCMSLIB00000077071 | qTof | - | - | - | - | - | - |
HMDB0001889_c_ms_1665 | qTof | GC-MS | - | - | - | - | - |
HMDB0001889_ei_ms_1312 | qTof | - | - | - | - | - | - |
HMDB0001889_ms_ms_1792 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0001889_ms_ms_1793 | qTof | Quattro_QQQ | - | - | - | positive | - |
HMDB0001889_ms_ms_1794 | qTof | Quattro_QQQ | - | - | - | positive | - |
MoNA011360 | Agilent 6550 iFunnel | Q-TOF | - | 10 | [M+H]+ | positive | - |
MoNA011361 | Agilent 6550 iFunnel | Q-TOF | - | 20 | [M+H]+ | positive | - |
MoNA011362 | Agilent 6550 iFunnel | Q-TOF | - | 30 | [M+H]+ | positive | - |
MoNA011363 | Agilent 6550 iFunnel | Q-TOF | - | 40 | [M+H]+ | positive | - |
MoNA016801 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M+H]+ | positive | - |
MoNA016925 | XEVO-G2S | LC-ESI-QTOF | - | 6V (MS1); Ramp 15V-30V (MSE) | [M+Na]+ | positive | - |