ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003983
RECORD_TITLE: ORTHO-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-TOLUIDINE
CH$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$LINK: COMPTOX DTXSID1026164
CH$LINK: INCHIKEY RNVCVTLRINQCPJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7242

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-6900000000-68480e71423ffd272f9d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 3 30
  27 8.2 82
  28 8.5 85
  29 0.19 2
  30 4 40
  37 1.6 16
  38 4 40
  39 1.2 12
  40 2 20
  41 3 30
  42 1.9 19
  49 0.15 2
  50 5.9 59
  51 8.7 87
  52 8.6 86
  52.5 0.2 2
  53 9.1 91
  53.5 4.8 48
  54 8.2 82
  62 0.15 2
  63 4.1 41
  64 2.1 21
  65 4 40
  66 0.2 2
  67 1.5 15
  74 1.5 15
  75 2.3 23
  76 0.11 1
  77 17 170
  78 7.5 75
  79 12 120
  80 0.29 3
  89 5.7 57
  90 5 50
  91 2.9 29
  104 0.13 1
  105 5.1 51
  106 99.99 999
  107 83.4 834
  108 6 60
//