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

Submission id: KO003985

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003985
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: 87.8,
Processing time: 0:00:01.892672
Queried mass list: ['45.900', '55.200', '57.300', '66.900', '70.400', '82.900', '86.000', '101.800', '104.800', '123.100']

Queried mass	Num. matched formulas	Num. matched fragments
45.9 (link to fragments)	1	2
55.2 (link to fragments)	3	11
57.3 (link to fragments)	3	9
66.9 (link to fragments)	3	10
70.4 (link to fragments)	4	11
82.9 (link to fragments)	4	11
86.0 (link to fragments)	4	9
101.8 (link to fragments)	1	2
104.8 (link to fragments)	1	2
123.1 (link to fragments)	1	2