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

Submission id: KO001652

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001652
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: 97.0, 116.4,
Processing time: 0:00:01.853899
Queried mass list: ['58.600', '69.100', '85.300', '95.100', '99.000', '115.100', '123.000', '141.100', '159.200']

Queried mass	Num. matched formulas	Num. matched fragments
58.6 (link to fragments)	3	7
69.1 (link to fragments)	3	9
85.3 (link to fragments)	3	7
95.1 (link to fragments)	1	2
99.0 (link to fragments)	1	2
115.1 (link to fragments)	1	2
123.0	No match found!	No match found!
141.1 (link to fragments)	1	4
159.2 (link to fragments)	1	1