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

Submission id: KO004201

Outputs for Trigonelline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO004201
Synonyms: Trigonelline, Caffearin, Betaine nicotinate, Trigenelline, Gynesine, 1-Methylpyridinio-3-carboxylate, N-Methylnicotinate
Total mass: 137.1357
Formula: H7 C7 O2 N1

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 62.6, 77.8, 89.1, 95.8, 104.9, 121.3,
Processing time: 0:00:01.858570
Queried mass list: ['58.800', '61.100', '71.100', '77.000', '80.200', '82.900', '88.200', '91.900', '94.300', '103.100', '106.000', '110.200', '115.300', '120.100', '136.000', '138.200']

Queried mass	Num. matched formulas	Num. matched fragments
58.8 (link to fragments)	1	3
61.1 (link to fragments)	2	5
71.1	No match found!	No match found!
77.0 (link to fragments)	1	1
80.2 (link to fragments)	2	3
82.9 (link to fragments)	2	3
88.2 (link to fragments)	1	1
91.9 (link to fragments)	2	3
94.3 (link to fragments)	3	4
103.1 (link to fragments)	1	1
106.0 (link to fragments)	2	3
110.2 (link to fragments)	1	2
115.3 (link to fragments)	1	2
120.1 (link to fragments)	2	7
136.0 (link to fragments)	1	1
138.2 (link to fragments)	1	1