MassBank Record: KO000533



 4-CPA; 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: KO000533
RECORD_TITLE: 4-CPA; 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 C151

CH$NAME: p-Chlorophenoxyacetate CH$NAME: 4-CPA CH$NAME: 4-Chlorophenoxyacetate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7ClO3 CH$EXACT_MASS: 186.00837 CH$SMILES: OC(=O)COc(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C CH$LINK: PUBCHEM SID:9299
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 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-4900000000-914e746c463138742208 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 35.100 272277.5 39 40.700 59406.0 8 43.300 188119.0 27 44.900 59406.0 8 57.000 103960.5 15 59.000 272277.5 39 73.300 831684.0 119 75.000 113861.5 16 79.100 673268.0 96 84.800 14851.5 2 87.100 301980.5 43 91.100 277228.0 40 96.900 74257.5 11 103.000 34653.5 5 126.900 6990106.0 999 //