Metabolomics Workbench : NIH Data Repository : Browse / Search Studies

MoNA MS database records for Theophylline

Massbank ID	Instrument	Inst. type	MS type	Collision energy	Ion type	Ion mode	MS level
MoNA041159		-	Electron Impact (EI)	-	-	positive	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
AU111404	Bruker maXis Impact	LC-ESI-QTOF	ESI	40 eV	[M+H]+	positive	MS2
AU111403	Bruker maXis Impact	LC-ESI-QTOF	ESI	Ramp 17.3-26.0 eV	[M+H]+	positive	MS2
MT000080	LTQ XL, Thermo Finnigan	LC-ESI-IT	ESI	40	[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
PM018515	Micromass Quattromicro	QqQ	ESI	15eV	[M-H]-	negative	MS2
PM018516	Micromass Quattromicro	QqQ	ESI	30eV	[M-H]-	negative	MS2
PM018513	Micromass Quattromicro	QqQ	ESI	45V	[M-H]-	negative	MS2
PM018514	Micromass Quattromicro	QqQ	ESI	60V	[M-H]-	negative	MS2
PM018505	Micromass Quattromicro	QqQ	ESI	15eV	[M+H]+	positive	MS2
PM018507	Micromass Quattromicro	QqQ	ESI	15eV	[M+H]+	positive	MS2
PM018506	Micromass Quattromicro	QqQ	ESI	30eV	[M+H]+	positive	MS2
PM018508	Micromass Quattromicro	QqQ	ESI	30eV	[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
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
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
EQ363251	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	15 (nominal)	[M-H]-	negative	MS2
EQ363259	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	180 (nominal)	[M-H]-	negative	MS2
EQ363252	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	30 (nominal)	[M-H]-	negative	MS2
SM815654	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	35 (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
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
EQ363201	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	15 (nominal)	[M+H]+	positive	MS2
EQ363209	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	180 (nominal)	[M+H]+	positive	MS2
EQ363202	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	30 (nominal)	[M+H]+	positive	MS2
SM815601	Q Exactive Plus Orbitrap Therm...	LC-ESI-QFT	ESI	35 (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
MoNA024230	Thermo Scientific Orbitrap ID-...	LC-ESI-Orbitrap	ESI	HCD (NCE 40%)	[M+H]+	positive	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
WA001345	ZQ, Waters	LC-ESI-Q	ESI	-	-	negative	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
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
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	-
MoNA010072	Agilent 6550 iFunnel	LC-ESI-QTOF	-	10	[M+H]+	Positive	MS2
MoNA010075	Agilent 6550 iFunnel	LC-ESI-QTOF	-	10	[M+H]+	Positive	MS2
MoNA010073	Agilent 6550 iFunnel	LC-ESI-QTOF	-	30	[M+H]+	Positive	MS2
MoNA010076	Agilent 6550 iFunnel	LC-ESI-QTOF	-	30	[M+H]+	Positive	MS2
MoNA010071	Agilent 6550 iFunnel	LC-ESI-QTOF	-	-	[M+H]+	Positive	MS2
MoNA010074	Agilent 6550 iFunnel	LC-ESI-QTOF	-	-	[M+H]+	Positive	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
MoNA034760	Agilent qTOF 6545	LC-ESI-QTOF	-	20 eV	[M-H]-	negative	MS2
MoNA035063	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
MoNA035061	Agilent qTOF 6545	LC-ESI-QTOF	-	40 eV	[M-H]-	negative	MS2
MoNA032630	Agilent qTOF 6545	LC-ESI-QTOF	-	10 eV	[M+H]+	positive	MS2
MoNA032872	Agilent qTOF 6545	LC-ESI-QTOF	-	10 eV	[M+H]+	positive	MS2
MoNA036440	Agilent qTOF 6545	LC-ESI-QTOF	-	10 eV	[M+H]+	positive	MS2
MoNA036585	Agilent qTOF 6545	LC-ESI-QTOF	-	10 eV	[M+H]+	positive	MS2
MoNA032629	Agilent qTOF 6545	LC-ESI-QTOF	-	20 eV	[M+H]+	positive	MS2
MoNA032874	Agilent qTOF 6545	LC-ESI-QTOF	-	20 eV	[M+H]+	positive	MS2
MoNA036451	Agilent qTOF 6545	LC-ESI-QTOF	-	20 eV	[M+H]+	positive	MS2
MoNA036589	Agilent qTOF 6545	LC-ESI-QTOF	-	20 eV	[M+H]+	positive	MS2
MoNA032631	Agilent qTOF 6545	LC-ESI-QTOF	-	40 eV	[M+H]+	positive	MS2
MoNA032875	Agilent qTOF 6545	LC-ESI-QTOF	-	40 eV	[M+H]+	positive	MS2
MoNA036444	Agilent qTOF 6545	LC-ESI-QTOF	-	40 eV	[M+H]+	positive	MS2
MoNA036590	Agilent qTOF 6545	LC-ESI-QTOF	-	40 eV	[M+H]+	positive	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
KO000310	API3000, Applied Biosystems	LC-ESI-QQ	-	10 V	[M-H]-	negative	MS2
KO001904	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
KO001905	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
KO001906	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
KO001907	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
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
KO004132	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
KO004133	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
KO004134	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
KO004135	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
KO004136	API3000, Applied Biosystems	LC-ESI-QQ	-	50 V	[M+H]+	positive	MS2
JP011292	HITACHI M-2500	EI-B	-	-	[M]+*	positive	MS1
CCMSLIB00005464248	Orbitrap	-	-	-	[2M-2H+Na]-	negative	MS2
CCMSLIB00005464247	Orbitrap	-	-	-	[M-H]-	negative	MS2
CCMSLIB00003142438	Orbitrap	-	-	-	[M+H]+	positive	MS2
CCMSLIB00005464206	Orbitrap	-	-	-	[M+H]+	positive	MS2
CCMSLIB00005464207	Orbitrap	-	-	-	[M+Na]+	positive	MS2
CCMSLIB00000578162	Q-Exactive Plus	-	-	-	[M-H]-	negative	MS2
CCMSLIB00000577926	Q-Exactive Plus	-	-	-	[M+H]+	positive	MS2
CCMSLIB00005720664	qTof	-	-	-	[M-H]-	negative	MS2
CCMSLIB00000424785	qTof	-	-	-	[M+H]+	positive	MS2
CCMSLIB00005720373	qTof	-	-	-	[M+H]+	positive	MS2
CCMSLIB00000077071	qTof	-	-	-	-	-	-
FiehnHILIC003009	SCIEX TripleTOF 6600	LC-ESI-QTOF	-	35 eV	[M-H]-	negative	MS2
FiehnHILIC002357	SCIEX TripleTOF 6600	LC-ESI-QTOF	-	35 eV	[M+H]+	positive	MS2
VF-NPL-LTQ000444	Thermo Finnigan LTQ	Linear Ion Trap	-	35	M-H	negative	MS2-MS4 Composite
VF-NPL-LTQ000441	Thermo Finnigan LTQ	Linear Ion Trap	-	35	M-H	positive	MS2
VF-NPL-LTQ000442	Thermo Finnigan LTQ	Linear Ion Trap	-	35	M-H	positive	MS2-MS3 Composite
VF-NPL-LTQ006095	Thermo Finnigan LTQ	Linear Ion Trap	-	35	M+H	positive	MS2
VF-NPL-LTQ006096	Thermo Finnigan LTQ	Linear Ion Trap	-	35	M+H	positive	MS2-MS3 Composite
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
FiehnHILIC001534	Thermo Q Exactive HF	LC-ESI-QFT	-	HCD (NCE 20-30-40%)	[M-H]-	negative	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
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
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
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
EMBL-MCF_spec32832	Thermo Q-Exactive Plus	LC-ESI-QFT	-	35.0 eV	[M-H]-	negative	MS2
EMBL-MCF_spec104464	Thermo Q-Exactive Plus	LC-ESI-QFT	-	35.0 eV	[M+H]+	positive	MS2
JP002818	Unknown	EI-B	-	-	[M]+*	positive	MS1
JP003188	Unknown	CI-B	-	-	-	positive	MS1
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	-
Bruker_HCD_library000035	XEVO-G2S	-	-	-	[M-H]-	negative	MS2
Bruker_HCD_library001036	XEVO-G2S	-	-	-	[M+H]+	positive	MS2
HMDB0001889_ms_ms_1792	XEVO-G2S	Quattro_QQQ	-	-	-	positive	-
HMDB0001889_ms_ms_1793	XEVO-G2S	Quattro_QQQ	-	-	-	positive	-
HMDB0001889_ms_ms_1794	XEVO-G2S	Quattro_QQQ	-	-	-	positive	-
BAF_UVA_POS000227	XEVO-G2S	-	-	-	-	-	-
BAF_UVA_POS001555	XEVO-G2S	-	-	-	-	-	-
BAF_UVA_POS001556	XEVO-G2S	-	-	-	-	-	-
HMDB0001889_c_ms_1665	XEVO-G2S	GC-MS	-	-	-	-	-
HMDB0001889_ei_ms_1312	XEVO-G2S	-	-	-	-	-	-