MassBank Record: KO001714



 DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001714
RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0v00-6900000000-992cb5008b3e748b7e66 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 45.400 24752.5 86 59.200 29703.0 103 64.700 9901.0 34 73.200 74257.5 258 74.100 19802.0 69 75.200 178218.0 620 101.200 287129.0 999 117.000 108911.0 379 119.400 64356.5 224 //