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

Submission id: KO001794

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001794
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 111.4, 114.5, 128.7,
Processing time: 0:00:02.574762
Queried mass list: ['35.300', '58.600', '78.800', '85.100', '96.800', '98.900', '110.900', '113.000', '127.200', '131.200', '155.000', '173.200']

Queried mass	Num. matched formulas	Num. matched fragments
35.3 (link to fragments)	1	6
58.6 (link to fragments)	3	8
78.8 (link to fragments)	3	9
85.1 (link to fragments)	4	9
96.8 (link to fragments)	1	2
98.9 (link to fragments)	1	2
110.9 (link to fragments)	1	2
113.0 (link to fragments)	1	2
127.2 (link to fragments)	1	2
131.2	No match found!	No match found!
155.0 (link to fragments)	1	4
173.2 (link to fragments)	1	1