MassBank Record: KO001713



 DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001713
RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0v4i-6900000000-7df2fcf2f9b049e4c39f PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 45.000 54455.5 101 67.200 44554.5 82 72.900 272277.5 504 73.400 89109.0 165 74.800 173267.5 321 77.200 89109.0 165 90.800 79208.0 147 101.000 539604.5 999 103.300 108911.0 202 117.200 217822.0 403 119.100 267327.0 495 //