NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
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Atom-Mass pairs
Related entries (identical compound): GLS00108 OUF00239 PR100383 MCH00017 MCH00016 JP010785 MCH00006 MCH00007 MCH00002 PR100832 KO000578 KO000576 KO000577 KO000574 KO000575
Submission id: KO000575

Outputs for Gentisic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000575
Synonyms: 2,5-Dihydroxybenzoate, Hydroquinonecarboxylic acid, Gentisate, Gentisic acid
Total mass: 154.1199
Formula: H6 C7 O4

Structure file (with ALATIS unique atom labels)

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 109.1,
Processing time: 0:00:02.232206
Queried mass list: ['52.600', '59.100', '70.700', '79.100', '81.200', '92.600', '94.900', '107.800', '111.300', '122.600', '125.200', '138.000', '152.900']



Queried massNum. matched formulasNum. matched fragments
52.6 (link to fragments) 2 12
59.1 (link to fragments) 1 10
70.7 (link to fragments) 2 7
79.1 (link to fragments) 2 22
81.2 (link to fragments) 2 5
92.6 (link to fragments) 1 1
94.9 (link to fragments) 2 4
107.8 (link to fragments) 2 4
111.3 (link to fragments) 1 3
122.6 (link to fragments) 2 3
125.2 (link to fragments) 2 3
138.0 (link to fragments) 2 7
152.9 (link to fragments) 1 1


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