MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007826

1,3-DIMETHYLINDOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007826
RECORD_TITLE: 1,3-DIMETHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁N
CH$EXACT_MASS: 145.08915
CH$SMILES: [H]c(c(C)1)n(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
CH$LINK: CAS 875-30-9
CH$LINK: INCHIKEY NAPPMSNSLWACIV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80236360

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0007-2900000000-f739adaee674a5ac0785
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 6.62 66
  42 3.01 30
  50 4.71 47
  51 7.82 78
  63 4.91 49
  72.5 7.52 75
  76 3.51 35
  77 11.22 112
  102 6.22 62
  103 5.94 59
  115 5.72 57
  116 1.91 19
  129 3.96 40
  130 4.01 40
  144 99.99 999
  145 71.97 720
  146 7.02 70
//