Related entries (identical compound): KO001421 KO001420 PR100874 JP003539 JP011335 KO001417 KO001418 KO001419 JP011565

Submission id: KO001418

Outputs for (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001418
Synonyms: (S)-Mandelate, (S)-Mandelic acid, (S)-2-Hydroxy-2-phenylacetic acid, (S)-2-Hydroxy-2-phenylacetate
Total mass: 152.147
Formula: H8 C8 O3

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: 92.6, 107.1,
Processing time: 0:00:01.602520
Queried mass list: ['59.100', '77.300', '88.600', '92.300', '105.200', '121.400', '133.400', '135.900', '151.200']

Queried mass	Num. matched formulas	Num. matched fragments
59.1 (link to fragments)	2	16
77.3 (link to fragments)	2	13
88.6 (link to fragments)	1	1
92.3	No match found!	No match found!
105.2 (link to fragments)	1	1
121.4 (link to fragments)	1	4
133.4 (link to fragments)	2	8
135.9 (link to fragments)	2	8
151.2 (link to fragments)	1	1