ACCESSION: MSBNK-Waters-WA001639
RECORD_TITLE: Ethenzamide; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ethenzamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOc(c1)c(ccc1)C(N)=O
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
CH$LINK: CAS 938-73-8
CH$LINK: INCHIKEY SBNKFTQSBPKMBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020581

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.230 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0pi0-0900000000-e03260a8b6800f93f14d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  102 302 302
  103 321 321
  104 12 12
  105 999 999
  106 125 125
  107 16 16
  110 16 16
  111 63 63
  113 411 411
  115 129 129
  118 86 86
  121 858 858
  122 90 90
  124 12 12
  127 8 8
  129 16 16
  130 114 114
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  145 8 8
  147 8 8
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  153 8 8
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  163 8 8
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  169 8 8
  175 8 8
  188 8 8
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  201 20 20
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  205 16 16
  206 31 31
  207 12 12
  211 12 12
//