ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002092
RECORD_TITLE: META-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)cc(N)cc1
CH$IUPAC: InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
CH$LINK: INCHIKEY JJYPMNFTHPTTDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026792

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-4900000000-a860382b14b555e54dba
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 3.06 31
  30 1.48 15
  38 2.14 21
  39 7.81 78
  40 1.53 15
  41 3.01 30
  42 1.89 19
  50 2.35 24
  51 5.2 52
  52 4.85 49
  52.5 2.19 22
  53 6.12 61
  53.5 3.78 38
  54 1.79 18
  62 1.07 11
  63 2.7 27
  64 1.28 13
  65 4.08 41
  66 1.79 18
  77 16.73 167
  78 5.15 52
  79 18.37 184
  80 4.64 46
  89 3.16 32
  90 2.7 27
  91 3.32 33
  104 2.6 26
  106 99.99 999
  107 95.61 956
  108 7.6 76
//