Related entries (identical compound): GLS00133 KO001651 KO001652 KO001653 KO001654 KO001655 JP003896 OUF00263

Submission id: KO001653

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001653
Synonyms: Pimelate, Heptanedioic acid, 6-Carboxyhexanoate, Pimelic acid
Total mass: 160.1673
Formula: H12 C7 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: 55.3, 95.1, 115.1, 122.9,
Processing time: 0:00:02.245980
Queried mass list: ['34.800', '40.800', '53.800', '58.700', '69.300', '84.900', '93.100', '97.300', '113.100', '121.000', '141.100', '159.200']

Queried mass	Num. matched formulas	Num. matched fragments
34.8 (link to fragments)	1	5
40.8 (link to fragments)	2	9
53.8 (link to fragments)	2	8
58.7 (link to fragments)	3	7
69.3 (link to fragments)	3	9
84.9 (link to fragments)	3	7
93.1 (link to fragments)	1	2
97.3 (link to fragments)	1	2
113.1 (link to fragments)	1	2
121.0	No match found!	No match found!
141.1 (link to fragments)	1	4
159.2 (link to fragments)	1	1