ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002123
RECORD_TITLE: N-METHYL-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$NAME: N-METHYL-META-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: CNc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
CH$LINK: INCHIKEY FBGJJTQNZVNEQU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061014

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$SPLASH: splash10-00di-6900000000-4ff02cb0f23a83d18912
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 2.89 29
  28 4.69 47
  30 2.49 25
  38 2 20
  39 8.78 88
  40 1.5 15
  41 3.24 32
  42 1.9 19
  44 1.6 16
  50 2.89 29
  51 6.28 63
  52 3.54 35
  53 2.49 25
  58.5 3.59 36
  59.5 6.98 70
  60.5 3.59 36
  62 1.75 18
  63 4.89 49
  64 1.9 19
  65 12.52 125
  66 1.5 15
  77 11.47 115
  78 3.99 40
  79 5.39 54
  80 1.5 15
  89 3.39 34
  90 2.44 24
  91 31.12 311
  92 7.98 80
  93 4.79 48
  104 2.44 24
  105 1.75 18
  106 6.43 64
  118 7.53 75
  119 9.78 98
  120 99.99 999
  121 84.24 842
  122 7.73 77
//