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

Submission id: KO003983

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003983
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: 63.1, 83.1, 101.1, 112.3, 122.3, 140.4, 141.4, 158.1,
Processing time: 0:00:02.483431
Queried mass list: ['61.400', '70.200', '76.800', '81.300', '85.800', '88.100', '93.600', '99.900', '102.200', '105.100', '111.900', '114.800', '121.900', '129.900', '139.400', '157.000', '175.200']

Queried mass	Num. matched formulas	Num. matched fragments
61.4 (link to fragments)	1	4
70.2 (link to fragments)	4	11
76.8 (link to fragments)	2	7
81.3 (link to fragments)	3	9
85.8 (link to fragments)	4	9
88.1 (link to fragments)	3	8
93.6 (link to fragments)	1	2
99.9 (link to fragments)	1	2
102.2 (link to fragments)	2	4
105.1 (link to fragments)	1	2
111.9 (link to fragments)	1	2
114.8 (link to fragments)	2	4
121.9 (link to fragments)	1	2
129.9 (link to fragments)	1	2
139.4	No match found!	No match found!
157.0 (link to fragments)	1	4
175.2 (link to fragments)	1	1