ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001626
RECORD_TITLE: N-METHYLPYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-METHYLPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇N
CH$EXACT_MASS: 81.05785
CH$SMILES: Cn(c1)ccc1
CH$IUPAC: InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
CH$LINK: CAS 96-54-8
CH$LINK: INCHIKEY OXHNLMTVIGZXSG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052648

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-001l-9000000000-66817af0d2cc99d62d59
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  32 6.83 68
  37 5.6 56
  38 10.25 103
  39 44.18 442
  40 16.27 163
  41 18.05 181
  42 54.71 547
  43 2.73 27
  49 1.64 16
  50 4.78 48
  51 5.6 56
  52 11.21 112
  53 56.36 564
  54 22.29 223
  55 29.82 298
  56 2.87 29
  57 3.41 34
  58 2.87 29
  59 1.23 12
  66 3.55 36
  67 2.46 25
  68 3.83 38
  69 4.92 49
  70 1.36 14
  71 1.36 14
  78 13.95 140
  79 4.51 45
  80 74.69 747
  81 99.99 999
  82 6.01 60
//