ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001534
RECORD_TITLE: META-XYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: META-XYLENE
CH$NAME: 1,3-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
CH$LINK: INCHIKEY IVSZLXZYQVIEFR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026298

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9400000000-df0f65246037f2bfb507
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 6.05 61
  38 2.47 25
  39 13.02 130
  40 1.68 17
  41 2.22 22
  44 1.08 11
  50 4.72 47
  51 11.96 120
  52 6.24 62
  53 3.42 34
  61 1 10
  62 2.35 24
  63 6.14 61
  64 1.36 14
  65 7.62 76
  66 1.05 11
  74 1.59 16
  75 1.19 12
  76 1.08 11
  77 12.88 129
  78 6.88 69
  79 7.42 74
  89 2.3 23
  91 99.99 999
  92 7.67 77
  102 1.33 13
  103 5.54 55
  104 2.67 27
  105 25.88 259
  106 64.68 647
  107 5.28 53
//