ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010538
RECORD_TITLE: 1,2,5-TRIMEHYLPYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,5-TRIMEHYLPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₁N
CH$EXACT_MASS: 109.08915
CH$SMILES: [H]c(c([H])1)c(C)n(C)c(C)1
CH$IUPAC: InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
CH$LINK: CAS 930-87-0
CH$LINK: INCHIKEY YRABRACUKBOTKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20239239

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-7284da94153af861ab23
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 3.99 40
  28 2.39 24
  40 4.66 47
  41 1.1 11
  42 4.36 44
  43 4.53 45
  51 2.24 22
  52 4.11 41
  53 3.15 32
  54 3.89 39
  55 1.91 19
  56 4.52 45
  65 3.12 31
  66 2.08 21
  67 3.61 36
  77 1.85 19
  78 1.13 11
  79 2.01 20
  92 3.03 30
  93 3.4 34
  94 19.15 192
  95 1.44 14
  106 3.46 35
  107 5.67 57
  108 99.99 999
  109 65.93 659
  110 5.1 51
//