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

Computational Annotation of MS Peaks (CAMP)

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Submission id: PR100409

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

Database: Plant Science Center, RIKEN
Entry ID: PR100409
Synonyms: Trigonelline, 1-Methylpyridinium-3-carboxylate, N-Methylnicotinic acid betaine, Gynesine, Caffearin, Coffearine, Betaine nicotinate, N-Methylnicotinate
Total mass: 137.1357
Formula: H7 C7 O2 N1

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 94.0683,
Processing time: 0:00:00.719732

Results for the quried mass "138.0555"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O2N1	0.088	8	1	C1,C2,C3,C4,C5,C6,C7,N8,O9,O10