Related entries (identical compound): GLS00077 OUF00354 KO001074 KO001075 KO001071 KO001072 KO001073

Submission id: KO001074

Outputs for Homovanillic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001074
Synonyms: Homovanillate, Homovanillic acid
Total mass: 182.1729
Formula: H10 C9 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: 94.3, 108.3, 121.3,
Processing time: 0:00:01.937101
Queried mass list: ['49.000', '58.800', '64.800', '67.000', '78.600', '80.700', '89.300', '92.700', '106.700', '109.900', '119.800', '121.900', '137.000']

Queried mass	Num. matched formulas	Num. matched fragments
49.0 (link to fragments)	1	11
58.8 (link to fragments)	2	15
64.8 (link to fragments)	2	23
67.0 (link to fragments)	3	17
78.6 (link to fragments)	3	29
80.7 (link to fragments)	2	23
89.3 (link to fragments)	2	27
92.7 (link to fragments)	2	25
106.7 (link to fragments)	1	2
109.9 (link to fragments)	1	2
119.8 (link to fragments)	2	3
121.9 (link to fragments)	2	3
137.0 (link to fragments)	2	2