ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001535
RECORD_TITLE: PARA-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$NAME: PARA-XYLENE
CH$NAME: 1.4-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID2021868
CH$LINK: INCHIKEY URLKBWYHVLBVBO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7809

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$SPLASH: splash10-052f-9400000000-58e5d57804187b27c6c5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 7.08 71
  38 2.03 20
  39 12.44 124
  40 1.42 14
  41 2.14 21
  44 1.24 12
  50 5.85 59
  51 14.05 141
  52 5.95 60
  53 4.2 42
  62 2.23 22
  63 5.9 59
  64 1.24 12
  65 7.61 76
  66 1.12 11
  74 1.64 16
  75 1.17 12
  76 1.11 11
  77 14.49 145
  78 7.01 70
  79 8.12 81
  89 2.16 22
  91 99.99 999
  92 8.07 81
  102 1.38 14
  103 6.29 63
  104 3.16 32
  105 29.6 296
  106 69.74 697
  107 6.11 61
//