MassBank Record: KO000532



 4-CPA; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000532
RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-1900000000-5fb971c4186ed0169f2b PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 35.300 69307.0 3 43.100 148515.0 6 45.000 49505.0 2 47.100 19802.0 1 57.000 99010.0 4 59.200 376238.0 16 73.200 1188120.0 49 74.900 183168.5 8 78.900 638614.5 26 87.300 1836635.5 76 91.200 128713.0 5 97.100 232673.5 10 103.000 376238.0 16 105.000 138614.0 6 110.900 168317.0 7 127.000 24143588.5 999 131.000 94059.5 4 141.600 29703.0 1 149.000 801981.0 33 185.600 59406.0 2 //