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MassBank Record: WA000271

Mecoprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000271
RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mecoprop
CH$NAME: MCPP-P
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11ClO3
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS 7085-19-0
CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024194

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$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$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 212.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-0900000000-a2426217f1071c76a732
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
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//

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