ACCESSION: MSBNK-Waters-WA000114
RECORD_TITLE: Naproanilide; LC-ESI-QQ; MS2; CE:30 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$NAME: Naproanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇NO₂
CH$EXACT_MASS: 291.12593
CH$SMILES: O=C(Nc(c3)cccc3)C(C)Oc(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)
CH$LINK: CAS 52570-16-8
CH$LINK: INCHIKEY LVKTWOXHRYGDMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8058118

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 30 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 292.2
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00dl-1900000000-be1bfec285ecdef96749
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  55 35 35
  56 12 12
  77 31 31
  79 16 16
  90 106 106
  92 27 27
  93 259 259
  94 16 16
  103 141 141
  105 239 239
  106 31 31
  115 27 27
  116 8 8
  117 47 47
  120 999 999
  121 24 24
  126 35 35
  127 357 357
  129 35 35
  132 16 16
  141 12 12
  143 286 286
  144 82 82
  148 161 161
  149 24 24
  151 12 12
  153 188 188
  154 8 8
  171 262 262
  172 8 8
//