vanillic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

Outputs for vanillic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML005851
Synonyms: vanillic acid, 4-hydroxy-3-methoxybenzoic acid
Total mass: 168.1464
Formula: H8 C8 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap Velos Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 95.0503, 123.045,
Processing time: 0:00:01.056408
Queried mass list: ['91.019', '95.014', '99.009', '108.022', '121.030', '152.011', '167.035']

Queried mass	Num. matched formulas	Num. matched fragments
91.0187 (link to fragments)	1	3
95.0138 (link to fragments)	1	3
99.0088 (link to fragments)	1	2
108.0217 (link to fragments)	2	3
121.0297 (link to fragments)	2	3
152.0113 (link to fragments)	2	7
167.0348 (link to fragments)	1	1