MoNA MS database records for Theobromine

Massbank ID Instrument Inst. type MS type Collision energy Ion type Ion mode MS level
MoNA041158-Electron Impact (EI)--positiveMS1
RP012201maXis plus UHR-ToF-MS, Bruker ...LC-ESI-QTOFESI10[M+H]+positiveMS2
RP012202maXis plus UHR-ToF-MS, Bruker ...LC-ESI-QTOFESI20[M+H]+positiveMS2
RP012203maXis plus UHR-ToF-MS, Bruker ...LC-ESI-QTOFESI40[M+H]+positiveMS2
CO000476Micromass Q-TOF IILC-ESI-QTOFESI10 eV[M+H]+positiveMS2
CO000477Micromass Q-TOF IILC-ESI-QTOFESI20 eV[M+H]+positiveMS2
CO000478Micromass Q-TOF IILC-ESI-QTOFESI30 eV[M+H]+positiveMS2
CO000479Micromass Q-TOF IILC-ESI-QTOFESI40 eV[M+H]+positiveMS2
CO000480Micromass Q-TOF IILC-ESI-QTOFESI50 eV[M+H]+positiveMS2
PM018501Micromass QuattromicroQqQESI15eV[M+H]+positiveMS2
PM018503Micromass QuattromicroQqQESI15eV[M+H]+positiveMS2
PM018502Micromass QuattromicroQqQESI30eV[M+H]+positiveMS2
PM018504Micromass QuattromicroQqQESI30eV[M+H]+positiveMS2
LU094151Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI15[M-H]-negativeMS2
LU094152Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI30[M-H]-negativeMS2
LU094153Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI45[M-H]-negativeMS2
LU094154Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI60[M-H]-negativeMS2
LU094155Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI75[M-H]-negativeMS2
LU094156Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI90[M-H]-negativeMS2
LU094101Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI15[M+H]+positiveMS2
LU094102Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI30[M+H]+positiveMS2
LU094103Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI45[M+H]+positiveMS2
LU094104Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI60[M+H]+positiveMS2
LU094105Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI75[M+H]+positiveMS2
LU094106Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI90[M+H]+positiveMS2
MoNA023976Thermo Scientific Orbitrap ID-...LC-ESI-OrbitrapESIHCD (NCE 40%)[M+H]+positiveMS2
BML01074Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF-10 ev[M+H]+positiveMS2
BML01082Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF-20 ev[M+H]+positiveMS2
BML82245Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF---positiveMS1
BML82247Agilent 1200 RRLC; Agilent 652...LC-APCI-QTOF---positiveMS1
MoNA011356Agilent 6550 iFunnelQ-TOF-10[M+H]+positive-
MoNA011357Agilent 6550 iFunnelQ-TOF-20[M+H]+positive-
MoNA011358Agilent 6550 iFunnelQ-TOF-30[M+H]+positive-
MoNA011359Agilent 6550 iFunnelQ-TOF-40[M+H]+positive-
MoNA010078Agilent 6550 iFunnelLC-ESI-QTOF-10[M+H]+PositiveMS2
MoNA010081Agilent 6550 iFunnelLC-ESI-QTOF-10[M+H]+PositiveMS2
MoNA010079Agilent 6550 iFunnelLC-ESI-QTOF-30[M+H]+PositiveMS2
MoNA010082Agilent 6550 iFunnelLC-ESI-QTOF-30[M+H]+PositiveMS2
MoNA010077Agilent 6550 iFunnelLC-ESI-QTOF--[M+H]+PositiveMS2
MoNA010080Agilent 6550 iFunnelLC-ESI-QTOF--[M+H]+PositiveMS2
MoNA032264Agilent qTOF 6545LC-ESI-QTOF-10 eV[M+H]+positiveMS2
MoNA036175Agilent qTOF 6545LC-ESI-QTOF-10 eV[M+H]+positiveMS2
MoNA032265Agilent qTOF 6545LC-ESI-QTOF-20 eV[M+H]+positiveMS2
MoNA036174Agilent qTOF 6545LC-ESI-QTOF-20 eV[M+H]+positiveMS2
MoNA032266Agilent qTOF 6545LC-ESI-QTOF-40 eV[M+H]+positiveMS2
MoNA036172Agilent qTOF 6545LC-ESI-QTOF-40 eV[M+H]+positiveMS2
MoNA002109Agilent QTOF 6550LC-ESI-QTOF-10[M+H]+positiveMS2
MoNA002110Agilent QTOF 6550LC-ESI-QTOF-20[M+H]+positiveMS2
MoNA002113Agilent QTOF 6550LC-ESI-QTOF-40[M+H]+positiveMS2
KO004122API3000, Applied BiosystemsLC-ESI-QQ-10 V[M+H]+positiveMS2
KO004123API3000, Applied BiosystemsLC-ESI-QQ-20 V[M+H]+positiveMS2
KO004124API3000, Applied BiosystemsLC-ESI-QQ-30 V[M+H]+positiveMS2
KO004125API3000, Applied BiosystemsLC-ESI-QQ-40 V[M+H]+positiveMS2
KO004126API3000, Applied BiosystemsLC-ESI-QQ-50 V[M+H]+positiveMS2
CCMSLIB00003142439Orbitrap---[M+H]+positiveMS2
CCMSLIB00005464198Orbitrap---[M+H]+positiveMS2
CCMSLIB00000578285Q-Exactive Plus---[M-H]-negativeMS2
CCMSLIB00000578038Q-Exactive Plus---[M+H]+positiveMS2
CCMSLIB00000424791qTof---[M+H]+positiveMS2
CCMSLIB00000579214qTof---[M+H]+positiveMS2
CCMSLIB00004684345qTof---[M+H]+positiveMS2
CCMSLIB00005720480qTof---[M+H]+positiveMS2
VF-NPL-LTQ007751Thermo Finnigan LTQLinear Ion Trap-35M-HnegativeMS2
VF-NPL-LTQ007752Thermo Finnigan LTQLinear Ion Trap-35M-HnegativeMS2-MS2 Composite
VF-NPL-LTQ007750Thermo Finnigan LTQLinear Ion Trap-35M-HpositiveMS2-MS3 Composite
VF-NPL-QEHF028129Thermo Q Exactive HFESI-QFT-35HCD[M-H]-negativeMS2
VF-NPL-QEHF028130Thermo Q Exactive HFESI-QFT-45HCD[M-H]-negativeMS2
VF-NPL-QEHF028131Thermo Q Exactive HFESI-QFT-65HCD[M-H]-negativeMS2
VF-NPL-QEHF028126Thermo Q Exactive HFESI-QFT-35HCD[M+H]+positiveMS2
VF-NPL-QEHF028127Thermo Q Exactive HFESI-QFT-45HCD[M+H]+positiveMS2
VF-NPL-QEHF028128Thermo Q Exactive HFESI-QFT-65HCD[M+H]+positiveMS2
MoNA037224Thermo Q Exactive HFLC-ESI-QFT-HCD (NCE 20-30-40%)[M+H]+positiveMS2
MoNA038605Thermo Q Exactive HFLC-ESI-QFT-HCD (NCE 20-30-40%)[M+H]+positiveMS2
VF-NPL-QEHF028135Thermo Q Exactive HFESI-QFT-35HCD[M+K]+positiveMS2
VF-NPL-QEHF028136Thermo Q Exactive HFESI-QFT-45HCD[M+K]+positiveMS2
VF-NPL-QEHF028137Thermo Q Exactive HFESI-QFT-65HCD[M+K]+positiveMS2
VF-NPL-QEHF028132Thermo Q Exactive HFESI-QFT-35HCD[M+Na]+positiveMS2
VF-NPL-QEHF028133Thermo Q Exactive HFESI-QFT-45HCD[M+Na]+positiveMS2
VF-NPL-QEHF028134Thermo Q Exactive HFESI-QFT-65HCD[M+Na]+positiveMS2
VF-NPL-QEHF028138Thermo Q Exactive HFESI-QFT-35HCD[M+NH4]+positiveMS2
VF-NPL-QEHF028139Thermo Q Exactive HFESI-QFT-45HCD[M+NH4]+positiveMS2
VF-NPL-QEHF028140Thermo Q Exactive HFESI-QFT-65HCD[M+NH4]+positiveMS2
EMBL-MCF_spec61644Thermo Q-Exactive PlusLC-ESI-QFT-35.0 eV[M-H]-negativeMS2
JP002808UnknownEI-B--[M]+*positiveMS1
MoNA016802XEVO-G2SLC-ESI-QTOF-6V (MS1); Ramp 15V-30V (MSE)[M+H]+positive-
Bruker_HCD_library001095XEVO-G2S---[M+H]+positiveMS2
HMDB0002825_ms_ms_2143XEVO-G2SQuattro_QQQ---positive-
HMDB0002825_ms_ms_2144XEVO-G2SQuattro_QQQ---positive-
HMDB0002825_ms_ms_2145XEVO-G2SQuattro_QQQ---positive-
EAD000063XEVO-G2S---[M+H]+--
BAF_UVA_POS000173XEVO-G2S------
BAF_UVA_POS001185XEVO-G2S------
BAF_UVA_POS001186XEVO-G2S------
BAF_UVA_POS001187XEVO-G2S------
HMDB0002825_c_ms_1729XEVO-G2SGC-MS-----
HMDB0002825_ei_ms_1563XEVO-G2S------
  logo