Related entries (identical compound): PR100045 JP005708 FIO00518 FIO00519 FIO00515 FIO00516 FIO00517 KO003591 KO003590 PR100505 KZ000065 PR010189 PR100046 KO003588 KO003589 KO003587 KZ000167 OUF00390 KO001504 KO001505 KO001506 KO001502 KO001503

Submission id: FIO00517

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

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00517
Synonyms: Niacin
Total mass: 123.1092
Formula: H5 C6 O2 N1

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 140.0346,
Replicated queried mass peaks: 79.0414, 80.0499, 97.0479, 124.0396,
Processing time: 0:00:00.713686
Queried mass list: ['78.034', '81.053', '96.045', '106.029', '122.024', '125.043']

Queried mass	Num. matched formulas	Num. matched fragments
78.0343 (link to fragments)	2	3
81.0532 (link to fragments)	2	3
96.0447 (link to fragments)	2	4
106.0289 (link to fragments)	3	7
122.024 (link to fragments)	1	1
125.0428 (link to fragments)	1	1