MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005941

O-PHENETIDINE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005941
RECORD_TITLE: O-PHENETIDINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: O-PHENETIDINE
CH$NAME: 2-ETHOXYBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY ULHFFAFDSSHFDA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025863

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-052r-1900000000-dd5bc66eb2922e81315a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  80 30.35 304
  81 3.06 31
  91 1.04 10
  92 2.71 27
  93 1.66 17
  94 1.03 10
  108 37.96 380
  109 27.93 279
  110 5.14 51
  136 2.06 21
  137 99.99 999
  138 22.21 222
  139 1.82 18
//