ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001334
RECORD_TITLE: ORTHO-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$NAME: ORTHO-TOLUIDINE
CH$NAME: ORTHO-AMINOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
CH$LINK: INCHIKEY RNVCVTLRINQCPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026164

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$SPLASH: splash10-0a4i-5900000000-2768b43eabd390a64db4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 3.01 30
  28 4.26 43
  30 2.21 22
  38 2.06 21
  39 6.84 68
  40 1.32 13
  41 2.13 21
  42 1.47 15
  50 3.24 32
  51 6.69 67
  52 5.96 60
  52.5 2.13 21
  53 6.62 66
  53.5 3.38 34
  54 2.21 22
  63 2.94 29
  64 1.54 15
  65 2.94 29
  66 1.47 15
  77 16.1 161
  78 5.73 57
  79 13.9 139
  80 3.9 39
  89 6.03 60
  90 5.15 52
  91 3.31 33
  104 2.79 28
  105 1.99 20
  106 99.99 999
  107 85.44 854
  108 6.18 62
//