Related entries (identical compound): PR100410 KO004201 KO004202 KO004203 KO004204 KO004205 ML005201 PR100409

Submission id: PR100410

Outputs for Trigonelline; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+

Database: Plant Science Center, RIKEN
Entry ID: PR100410
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

Structure file (with ALATIS unique atom labels)

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: 67.0507, 79.0415, 93.0575, 94.0654,
Processing time: 0:00:01.444138
Queried mass list: ['65.039', '78.034', '92.050', '110.060', '138.055']

Queried mass	Num. matched formulas	Num. matched fragments
65.039 (link to fragments)	4	11
78.0342 (link to fragments)	2	3
92.0496 (link to fragments)	3	4
110.0602 (link to fragments)	2	3
138.0555 (link to fragments)	1	1