Xanthine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: PR100624

Outputs for Xanthine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Database: Plant Science Center, RIKEN
Entry ID: PR100624
Synonyms: Xanthine, XAN, 2,6-Dihydroxypurine, 2,6-Dioxo-1,2,3,6-tetrahydropurine, 2,6-Dioxopurine, Xanthic oxide
Total mass: 152.1107
Formula: H4 C5 O2 N4

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.731760

Results for the quried mass "108.0203"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C3O1N4	0.038	0	0	C1,C3,C5,N6,N7,N8,N9,O11
C4O2N2	0.035	0	0	C2,C3,C4,C5,N8,N9,O10,O11
C4O2N2	0.035	0	0	C1,C2,C4,C5,N6,N9,O10,O11
C4O1N3	0.058	2	0	C1,C2,C3,C5,N6,N7,N8,O11
C4O1N3	0.058	2	0	C1,C2,C3,C4,N6,N7,N9,O10
C4O1N3	0.058	2	0	C1,C2,C3,C4,N6,N7,N8,O10