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Atom-Mass pairs
Related entries (identical compound): KO001421 KO001420 PR100874 JP003539 JP011335 KO001417 KO001418 KO001419 JP011565
Submission id: KO001417

Outputs for (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001417
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: 107.3, 151.2,
Processing time: 0:00:01.941845
Queried mass list: ['34.700', '59.100', '77.100', '93.000', '106.000', '120.800', '136.300', '149.600']



Queried massNum. matched formulasNum. matched fragments
34.7 (link to fragments) 1 9
59.1 (link to fragments) 2 15
77.1 (link to fragments) 2 13
93.0 No match found! No match found!
106.0 (link to fragments) 1 1
120.8 (link to fragments) 1 4
136.3 (link to fragments) 2 8
149.6 (link to fragments) 1 1


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