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

Submission id: KO001072

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001072
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: 78.9, 93.4, 108.8, 120.7, 137.1,
Processing time: 0:00:02.604874
Queried mass list: ['44.700', '49.200', '59.100', '66.900', '72.800', '77.000', '85.000', '89.200', '91.400', '99.200', '105.100', '107.200', '111.000', '119.100', '122.100', '136.000', '166.300', '181.100']

Queried mass	Num. matched formulas	Num. matched fragments
44.7 (link to fragments)	2	2
49.2 (link to fragments)	1	11
59.1 (link to fragments)	2	14
66.9 (link to fragments)	3	17
72.8 (link to fragments)	2	11
77.0 (link to fragments)	2	31
85.0 (link to fragments)	2	10
89.2 (link to fragments)	2	27
91.4 (link to fragments)	2	25
99.2 (link to fragments)	3	22
105.1 (link to fragments)	1	2
107.2 (link to fragments)	1	2
111.0 (link to fragments)	1	2
119.1 (link to fragments)	2	3
122.1 (link to fragments)	2	3
136.0 (link to fragments)	2	3
166.3 (link to fragments)	2	7
181.1 (link to fragments)	1	1