MassBank Record: KO001736



 Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001736
RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:20 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 P129

CH$NAME: Phenoxyacetate CH$NAME: Phenoxyacetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: OC(=O)COc(c1)cccc1 CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I CH$LINK: PUBCHEM SID:5253
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 151 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9100000000-27d995b989f69c80f2ec PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 44.800 14851.5 1 59.200 3366340.0 185 76.200 14851.5 1 77.000 89109.0 5 79.300 44554.5 2 87.000 34653.5 2 88.900 108911.0 6 90.200 19802.0 1 91.600 49505.0 3 93.000 18217840.0 999 107.200 1133664.5 62 136.100 1549506.5 85 151.200 752476.0 41 //