MassBank Record: KO000534



 4-CPA; 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: KO000534
RECORD_TITLE: 4-CPA; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9300000000-9d8c86d4948733fed387 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 35.000 292079.5 412 43.200 128713.0 182 45.200 54455.5 77 49.000 24752.5 35 57.200 59406.0 84 59.000 89109.0 126 73.300 297030.0 419 78.800 653466.0 922 79.300 143564.5 203 91.100 178218.0 251 126.900 707921.5 999 //