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

Submission id: KO003984

Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003984
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: 57.0, 61.0,
Processing time: 0:00:02.690042
Queried mass list: ['55.200', '59.800', '70.000', '73.300', '76.600', '80.600', '83.000', '86.100', '88.200', '97.800', '100.200', '102.300', '105.000', '119.400', '122.100', '130.300', '142.300', '157.900', '175.500']

Queried mass	Num. matched formulas	Num. matched fragments
55.2 (link to fragments)	3	11
59.8 (link to fragments)	2	6
70.0 (link to fragments)	3	10
73.3 (link to fragments)	2	5
76.6 (link to fragments)	2	7
80.6 (link to fragments)	3	9
83.0 (link to fragments)	4	11
86.1 (link to fragments)	5	13
88.2 (link to fragments)	3	8
97.8 (link to fragments)	1	2
100.2 (link to fragments)	1	2
102.3 (link to fragments)	2	4
105.0 (link to fragments)	1	2
119.4 (link to fragments)	1	2
122.1 (link to fragments)	1	2
130.3 (link to fragments)	1	2
142.3 (link to fragments)	1	4
157.9 (link to fragments)	1	4
175.5 (link to fragments)	1	1