Related entries (identical compound): KO001798 KO001795 KO001794 KO001797 KO001796 KO003983 KO003986 KO003984 KO003985 GLS00131 KO003982 OUF00464 JP003897

Submission id: KO003982

Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003982
Synonyms: Suberate, 1,8-Octanedioic acid, Cork acid, Suberic acid, Octanedioic acid, 1,6-Hexanedicarboxylic acid
Total mass: 174.1938
Formula: H14 C8 O4

Structure file (with ALATIS unique atom labels)

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 78.3, 79.2, 100.2, 122.4, 158.2,
Processing time: 0:00:02.622953
Queried mass list: ['62.400', '73.800', '77.800', '83.000', '85.100', '88.000', '98.300', '101.000', '106.900', '114.800', '120.900', '129.700', '140.300', '142.800', '156.900', '175.100']

Queried mass	Num. matched formulas	Num. matched fragments
62.4 (link to fragments)	2	8
73.8 (link to fragments)	2	5
77.8 (link to fragments)	2	7
83.0 (link to fragments)	4	11
85.1 (link to fragments)	4	9
88.0 (link to fragments)	3	8
98.3 (link to fragments)	1	2
101.0 (link to fragments)	1	2
106.9 (link to fragments)	1	2
114.8 (link to fragments)	2	4
120.9 (link to fragments)	1	2
129.7 (link to fragments)	1	2
140.3	No match found!	No match found!
142.8 (link to fragments)	1	4
156.9 (link to fragments)	1	4
175.1 (link to fragments)	1	1