MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000447

3-ACETYL-1-TRIDEUTEROMETHYLINDOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000447
RECORD_TITLE: 3-ACETYL-1-TRIDEUTEROMETHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-ACETYL-1-TRIDEUTEROMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO
CH$EXACT_MASS: 173.08406
CH$SMILES: CC(=O)c(c1)c(c2)c(ccc2)n(C([2H])([2H])[2H])1
CH$IUPAC: InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3/i2D3
CH$LINK: INCHIKEY HYLFRICFKVJJOZ-BMSJAHLVSA-N

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AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03di-1900000000-e32f6284b6677e6c2ab0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 1.1 11
  43 2.7 27
  63 2 20
  69 0.32 3
  74 1.4 14
  77 2.1 21
  78 3.4 34
  79 0.34 3
  80.5 1.8 18
  81 1.4 14
  88 1.1 11
  89 0.25 3
  103 1.3 13
  104 1.3 13
  105 3.5 35
  106 0.27 3
  115 1.6 16
  131 1.1 11
  133 6 60
  160 0.27 3
  161 99.99 999
  162 9.5 95
  175 1 10
  176 4.5 45
  177 4.4 44
//