MoNA MS database records for Caffeine

Massbank ID Instrument Inst. type MS type Collision energy Ion type Ion mode MS level
AU276601Bruker maXis ImpactLC-ESI-QTOFESI10 eV[M+H]+positiveMS2
AU276602Bruker maXis ImpactLC-ESI-QTOFESI20 eV[M+H]+positiveMS2
AU276603Bruker maXis ImpactLC-ESI-QTOFESI30 eV[M+H]+positiveMS2
AU276606Bruker maXis ImpactLC-ESI-QTOFESIRamp 14.5-21.8 eV[M+H]+positiveMS2
BAF_UVA_POS000648Bruker maXis Impact------
BAF_UVA_POS001581Bruker maXis Impact------
BAF_UVA_POS001582Bruker maXis Impact------
BML00696Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF-10 ev[M+H]+positiveMS2
BML00705Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF-20 ev[M+H]+positiveMS2
BML00714Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF-40 ev[M+H]+positiveMS2
BML80860Agilent 1200 RRLC; Agilent 652...LC-ESI-QTOF---positiveMS1
BML80862Agilent 1200 RRLC; Agilent 652...LC-APCI-QTOF---positiveMS1
CCMSLIB00000078857qTof---[M+H]+positiveMS2
CCMSLIB00000577942Q-Exactive Plus---[M+H]+positiveMS2
CCMSLIB00000845166Maxis II HD Q-TOF Bruker---[M+H]+positiveMS2
CCMSLIB00003142435Orbitrap---[M+H]+positiveMS2
CCMSLIB00004679245qTof---[M+H]+positiveMS2
CCMSLIB00004681492Orbitrap---[M+H]+positiveMS2
CCMSLIB00005435812qTof---[M+H]+positiveMS2
CCMSLIB00005464484Orbitrap---[M+H]+positiveMS2
CCMSLIB00005464485Orbitrap---[M+Na]+positiveMS2
CCMSLIB00005720384qTof---[M+H]+positiveMS2
EA030301LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI35 % (nominal)[M+H]+positiveMS2
EA030302LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI15 % (nominal)[M+H]+positiveMS2
EA030303LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI30 % (nominal)[M+H]+positiveMS2
EA030304LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI45 % (nominal)[M+H]+positiveMS2
EA030305LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI60 % (nominal)[M+H]+positiveMS2
EA030306LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI75 % (nominal)[M+H]+positiveMS2
EA030307LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI90 % (nominal)[M+H]+positiveMS2
EA030308LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI15 % (nominal)[M+H]+positiveMS2
EA030309LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI30 % (nominal)[M+H]+positiveMS2
EA030310LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI45 % (nominal)[M+H]+positiveMS2
EA030311LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI60 % (nominal)[M+H]+positiveMS2
EA030312LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI75 % (nominal)[M+H]+positiveMS2
EA030313LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI90 % (nominal)[M+H]+positiveMS2
EA030314LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI35 % (nominal)[M+H]+positiveMS2
EAD000081LTQ Orbitrap XL Thermo Scienti...---[M+H]+--
FiehnHILIC000237Thermo Q Exactive HFLC-ESI-QFT-HCD (NCE 20-30-40%)[M+H]+positiveMS2
FiehnHILIC001810SCIEX TripleTOF 6600LC-ESI-QTOF-35 eV[M+H]+positiveMS2
FIO00568maXis (Bruker Daltonics)LC-ESI-QTOFESI10 eV[M+H]+positiveMS2
FIO00569maXis (Bruker Daltonics)LC-ESI-QTOFESI20 eV[M+H]+positiveMS2
FIO00570maXis (Bruker Daltonics)LC-ESI-QTOFESI30 eV[M+H]+positiveMS2
FIO00571maXis (Bruker Daltonics)LC-ESI-QTOFESI40 eV[M+H]+positiveMS2
FIO00572maXis (Bruker Daltonics)LC-ESI-QTOFESI50 eV[M+H]+positiveMS2
HMDB0001847_c_ms_1536maXis (Bruker Daltonics)GC-MS-----
HMDB0001847_ei_ms_937maXis (Bruker Daltonics)------
HMDB0001847_ms_ms_1702maXis (Bruker Daltonics)Quattro_QQQ---positive-
HMDB0001847_ms_ms_1703maXis (Bruker Daltonics)Quattro_QQQ---positive-
HMDB0001847_ms_ms_1704maXis (Bruker Daltonics)Quattro_QQQ---positive-
JEL00040JMS-S3000MALDI-TOFTOF--[M+H]+positiveMS2
JP000558HITACHI M-80EI-B--[M]+*positiveMS1
JP003158UnknownCI-B---positiveMS1
JP003477HITACHI M-60EI-B--[M]+*positiveMS1
JP003511HITACHI M-68EI-B--[M]+*positiveMS1
JP003788HITACHI M-60CI-B---positiveMS1
KO002537API3000, Applied BiosystemsLC-ESI-QQ-10 V[M+H]+positiveMS2
KO002538API3000, Applied BiosystemsLC-ESI-QQ-20 V[M+H]+positiveMS2
KO002539API3000, Applied BiosystemsLC-ESI-QQ-30 V[M+H]+positiveMS2
KO002540API3000, Applied BiosystemsLC-ESI-QQ-40 V[M+H]+positiveMS2
KO002541API3000, Applied BiosystemsLC-ESI-QQ-50 V[M+H]+positiveMS2
KW107901Orbitrap Classic, Thermo Scien...LC-ESI-ITFTESI35 eV IT-MS[M+H]+positiveMS2
KW107902Orbitrap Classic, Thermo Scien...LC-ESI-ITFTESI35 eV FT-MS[M+H]+positiveMS2
KW107903Orbitrap Classic, Thermo Scien...LC-ESI-ITFTESI35 eV FT-MS II[M+H]+positiveMS2
KW107904Orbitrap Classic, Thermo Scien...LC-ESI-ITFTESI65 eV FT-MS[M+H]+positiveMS2
KZ000017Pegasus III TOF-MS system, Lec...GC-EI-TOF---positiveMS1
KZ000113Pegasus III TOF-MS system, Lec...GC-EI-TOF---positiveMS1
LU119901Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI15[M+H]+positiveMS2
LU119902Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI30[M+H]+positiveMS2
LU119903Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI45[M+H]+positiveMS2
LU119904Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI60[M+H]+positiveMS2
LU119905Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI75[M+H]+positiveMS2
LU119906Q Exactive Orbitrap (Thermo Sc...LC-ESI-QFTESI90[M+H]+positiveMS2
MoNA001767Agilent QTOF 6550LC-ESI-QTOF-20[M+H]+positiveMS2
MoNA001768Agilent QTOF 6550LC-ESI-QTOF-10[M+H]+positiveMS2
MoNA001769Agilent QTOF 6550LC-ESI-QTOF-40[M+H]+positiveMS2
MoNA010023Agilent 6550 iFunnelLC-ESI-QTOF--[M+H]+PositiveMS2
MoNA010024Agilent 6550 iFunnelLC-ESI-QTOF-10[M+H]+PositiveMS2
MoNA010025Agilent 6550 iFunnelLC-ESI-QTOF-30[M+H]+PositiveMS2
MoNA010026Agilent 6550 iFunnelLC-ESI-QTOF--[M+H]+PositiveMS2
MoNA010027Agilent 6550 iFunnelLC-ESI-QTOF-10[M+H]+PositiveMS2
MoNA010028Agilent 6550 iFunnelLC-ESI-QTOF-30[M+H]+PositiveMS2
MoNA010964Agilent 6550 iFunnelQ-TOF-10[M+H]+positive-
MoNA010965Agilent 6550 iFunnelQ-TOF-20[M+H]+positive-
MoNA010966Agilent 6550 iFunnelQ-TOF-30[M+H]+positive-
MoNA010967Agilent 6550 iFunnelQ-TOF-40[M+H]+positive-
MoNA016622XEVO-G2SLC-ESI-QTOF-6V (MS1); Ramp 15V-30V (MSE)[M]+positive-
MoNA016667XEVO-G2SLC-ESI-QTOF-6V (MS1); Ramp 15V-30V (MSE)[M+H]+positive-
MoNA024166Thermo Scientific Orbitrap ID-...LC-ESI-OrbitrapESIHCD (NCE 40%)[M+H]+positiveMS2
MoNA032632Agilent qTOF 6545LC-ESI-QTOF-10 eV[M+H]+positiveMS2
MoNA032637Agilent qTOF 6545LC-ESI-QTOF-40 eV[M+H]+positiveMS2
MoNA032639Agilent qTOF 6545LC-ESI-QTOF-20 eV[M+H]+positiveMS2
MoNA036446Agilent qTOF 6545LC-ESI-QTOF-40 eV[M+H]+positiveMS2
MoNA036447Agilent qTOF 6545LC-ESI-QTOF-10 eV[M+H]+positiveMS2
MoNA036448Agilent qTOF 6545LC-ESI-QTOF-20 eV[M+H]+positiveMS2
MoNA037382Thermo Q Exactive HFLC-ESI-QFT-HCD (NCE 20-30-40%)[M+H]+positiveMS2
MoNA038710Thermo Q Exactive HFLC-ESI-QFT-HCD (NCE 20-30-40%)[M+H]+positiveMS2
MT000087LTQ XL, Thermo FinniganLC-ESI-ITESI40[M+H]+positiveMS2
OUF00133Pegasus III TOF-MS system, Lec...GC-EI-TOF---positiveMS1
PB003781TSQ 7000LC-ESI-QQESI25 eV[M+H]+positiveMS2
PB003782TSQ 7000LC-ESI-QQESI30 eV[M+H]+positiveMS2
PB003783TSQ 7000LC-ESI-QQESI35 eV[M+H]+positiveMS2
PM016402MSD 1100QITESI20%[M+H]+positiveMS2
PM018509Micromass QuattromicroQqQESI15eV[M+H]+positiveMS2
PM018510Micromass QuattromicroQqQESI30eV[M+H]+positiveMS2
PM018511Micromass QuattromicroQqQESI15eV[M+H]+positiveMS2
PM018512Micromass QuattromicroQqQESI30eV[M+H]+positiveMS2
PR010011Pegasus III TOF-MS system, Lec...GC-EI-TOF---positiveMS1
PR100025UPLC Q-Tof Premier, WatersLC-ESI-QTOFESIRamp 5-60 V[M+H]+positiveMS2
PR100026UPLC Q-Tof Premier, WatersLC-ESI-QTOFESI30 V[M+H]+positiveMS2
PS004501TQD, WatersFlow-injection QqQ/MSESI10[M+H]+positiveMS2
PS004502TQD, WatersFlow-injection QqQ/MSESI20[M+H]+positiveMS2
PS004503TQD, WatersFlow-injection QqQ/MSESI30[M+H]+positiveMS2
PS004504TQD, WatersFlow-injection QqQ/MSESI40[M+H]+positiveMS2
PS004505TQD, WatersFlow-injection QqQ/MSESI50[M+H]+positiveMS2
PS004506TQD, WatersFlow-injection QqQ/MSESI60[M+H]+positiveMS2
PT100450Q-Tof Premier, WatersLC-Q-TOF/MSESIRamp 5-45 V[M+H]+positiveMS2
PT100453Q-Tof Premier, WatersLC-Q-TOF/MSESI30 V[M+H]+positiveMS2
SM866601Q Exactive Plus Orbitrap Therm...LC-ESI-QFTESI35 (nominal)[M+H]+positiveMS2
UA005001LTQ Orbitrap XL Thermo Scienti...ESI-ITFTESI35 % (nominal)[M+H]+positiveMS2
UA005003LTQ Orbitrap XL Thermo Scienti...APCI-ITFTAPCI35 % (nominal)[M+H]+positiveMS2
UF408901LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI55 (nominal)[M+H]+positiveMS2
UF408902LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI80 (nominal)[M+H]+positiveMS2
UF408903LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI35 (nominal)[M+H]+positiveMS2
UF408904LTQ Orbitrap XL Thermo Scienti...LC-ESI-ITFTESI55 (nominal)[M+H]+positiveMS2
VF-NPL-LTQ000210Thermo Finnigan LTQLinear Ion Trap-35--positiveMS2-MS4 Composite
VF-NPL-LTQ000687Thermo Finnigan LTQLinear Ion Trap-35M-HpositiveMS2
VF-NPL-LTQ000688Thermo Finnigan LTQLinear Ion Trap-35M-HpositiveMS2-MS4 Composite
VF-NPL-LTQ000690Thermo Finnigan LTQLinear Ion Trap-35M-HnegativeMS2-MS3 Composite
VF-NPL-QEHF000451Thermo Q Exactive HFESI-QFT-35HCD[M-H]-negativeMS2
VF-NPL-QEHF000452Thermo Q Exactive HFESI-QFT-45HCD[M-H]-negativeMS2
VF-NPL-QEHF000453Thermo Q Exactive HFESI-QFT-65HCD[M-H]-negativeMS2
VF-NPL-QEHF000454Thermo Q Exactive HFESI-QFT-35HCD[M+H]+positiveMS2
VF-NPL-QEHF000455Thermo Q Exactive HFESI-QFT-45HCD[M+H]+positiveMS2
VF-NPL-QEHF000456Thermo Q Exactive HFESI-QFT-65HCD[M+H]+positiveMS2
VF-NPL-QEHF001081Thermo Q Exactive HFESI-QFT-35HCD[M-H]-negativeMS2
VF-NPL-QEHF001082Thermo Q Exactive HFESI-QFT-45HCD[M-H]-negativeMS2
VF-NPL-QEHF001083Thermo Q Exactive HFESI-QFT-65HCD[M-H]-negativeMS2
VF-NPL-QEHF001084Thermo Q Exactive HFESI-QFT-35HCD[M+H]+positiveMS2
VF-NPL-QEHF001085Thermo Q Exactive HFESI-QFT-45HCD[M+H]+positiveMS2
VF-NPL-QEHF001086Thermo Q Exactive HFESI-QFT-65HCD[M+H]+positiveMS2
VF-NPL-QEHF002923Thermo Q Exactive HFESI-QFT-35HCD[M+H]+positiveMS2
VF-NPL-QEHF002924Thermo Q Exactive HFESI-QFT-45HCD[M+H]+positiveMS2
VF-NPL-QEHF002925Thermo Q Exactive HFESI-QFT-65HCD[M+H]+positiveMS2
WA000948ZQ, WatersLC-ESI-QESI--positiveMS1
WA000949ZQ, WatersLC-ESI-QESI--positiveMS1
WA000950ZQ, WatersLC-ESI-QESI--positiveMS1
WA000951ZQ, WatersLC-ESI-QESI--positiveMS1
WA000952ZQ, WatersLC-ESI-QESI--positiveMS1
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