MassBank Record: KO001712



 DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001712
RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P111

CH$NAME: 3-Phenyllactate CH$NAME: Phenyllactate CH$NAME: DL-3-Phenyllactic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(O)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) CH$LINK: KEGG C05607 CH$LINK: PUBCHEM SID:7930
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0v4i-4900000000-5e5e2d29a299435f9b35 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 45.000 84158.5 51 59.300 183168.5 112 66.900 79208.0 48 72.900 1128714.0 688 73.900 207921.0 127 74.700 94059.5 57 77.400 64356.5 39 91.200 227723.0 139 92.800 19802.0 12 96.800 19802.0 12 101.200 396040.0 241 103.100 1410892.5 860 116.900 178218.0 109 119.000 1638615.5 999 133.100 34653.5 21 135.400 39604.0 24 147.100 440594.5 269 148.800 292079.5 178 150.400 212871.5 130 165.200 44554.5 27 //