ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002128
RECORD_TITLE: N-METHYL-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$NAME: N-METHYL-ORTHO-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: CNc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
CH$LINK: COMPTOX DTXSID4060600
CH$LINK: INCHIKEY GUAWMXYQZKVRCW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:69137

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$SPLASH: splash10-00di-5900000000-90109ecf624a152fd7c6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 2.53 25
  28 4.22 42
  30 5.35 54
  39 7.69 77
  41 2.35 24
  42 2.35 24
  44 1.41 14
  50 2.44 24
  51 6.85 69
  52 4.22 42
  53 3.56 36
  58.5 7.13 71
  59.5 7.6 76
  60.5 4.97 50
  63 4.13 41
  65 16.14 161
  77 15.95 160
  78 5.16 52
  79 11.07 111
  80 1.88 19
  89 3.75 38
  90 1.88 19
  91 36.59 366
  92 7.13 71
  93 6.29 63
  104 8.91 89
  105 2.06 21
  106 71.2 712
  107 8.63 86
  117 2.72 27
  118 12.95 130
  120 69.14 691
  121 99.99 999
  122 8.35 84
//