MassBank Record: KO001710



 DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001710
RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-cfbc3d9f0107a37ad7f7 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 34.800 49505.0 2 59.100 227723.0 9 72.900 39604.0 1 96.800 49505.0 2 100.800 24752.5 1 103.300 94059.5 4 104.700 19802.0 1 111.200 143564.5 5 119.200 108911.0 4 147.200 1881190.0 71 148.900 59406.0 2 165.100 26529729.5 999 //