MassBank Record: MSBNK-Waters-WA000136

Phenmedipham; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000136
RECORD_TITLE: Phenmedipham; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: Phenmedipham
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₆N₂O₄
CH$EXACT_MASS: 300.11101
CH$SMILES: COC(=O)Nc(c2)cc(cc2)OC(=O)Nc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
CH$LINK: CAS 13684-63-4
CH$LINK: INCHIKEY IDOWTHOLJBTAFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024255

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AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 318.2
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-052o-6900000000-7128e6f240750d92f9a4
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59 16 16
  65 184 184
  79 8 8
  80 114 114
  90 12 12
  92 999 999
  94 20 20
  108 795 795
  109 20 20
  136 913 913
  137 24 24
//