MassBank Record: KO000530



 4-CPA; 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: KO000530
RECORD_TITLE: 4-CPA; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-0900000000-178d0b75af9ade541840 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 78.600 54455.5 1 96.900 99010.0 2 102.400 29703.0 1 110.800 24752.5 1 126.800 12460408.5 265 140.800 603961.0 13 148.200 74257.5 2 149.100 26534680.0 564 167.100 39604.0 1 185.000 46975294.5 999 //