ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010789
RECORD_TITLE: 3,4-XYLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 3,4-XYLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Nc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
CH$LINK: INCHIKEY DOLQYFPDPKPQSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026308

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00di-3900000000-cdf20b1f3701fa29813f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  42 3.68 37
  43 2.51 25
  47 1.7 17
  50 2.17 22
  51 5.35 54
  52 4.13 41
  53 6.56 66
  54 2.08 21
  58 4.91 49
  59 4.47 45
  60 3.52 35
  63 2.27 23
  65 4.78 48
  66 2.04 20
  67 1.11 11
  77 14.27 143
  78 4.15 42
  79 3.84 38
  80 2.62 26
  91 8.92 89
  92 2.11 21
  93 5.08 51
  94 1.74 17
  103 3.32 33
  104 2.98 30
  105 1.89 19
  106 59.05 591
  107 4.8 48
  117 1.41 14
  118 4.23 42
  119 3.86 39
  120 88.67 887
  121 99.99 999
  122 9.14 91
//