Processed databases
Atom-Mass pairs
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
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: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 95.0503, 123.045,
Processing time: 0:00:01.056408
Results for the quried mass "91.0187"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2 | 0.026 | 1 | 0 | C1,C3,C4,C6,C7,O9,O12 |
| C5O2 | 0.026 | 1 | 0 | C1,C2,C3,C6,C7,O9,O12 |
| C5O2 | 0.026 | 1 | 0 | C2,C3,C4,C5,C8,O10,O11 |