ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001533
RECORD_TITLE: ORTHO-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$NAME: ORTHO-XYLENE
CH$NAME: 1,2-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
CH$LINK: INCHIKEY CTQNGGLPUBDAKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021807

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$SPLASH: splash10-052f-9300000000-7444c78cfa46f8a9a90e
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.29 13
  27 9.61 96
  37 1.2 12
  38 2.77 28
  39 18.12 181
  40 2.19 22
  41 3.09 31
  50 7.09 71
  51 16.7 167
  52 7.41 74
  53 5.03 50
  61 1.42 14
  62 3.16 32
  63 7.67 77
  64 1.81 18
  65 9.8 98
  66 1.29 13
  74 2.26 23
  75 1.74 17
  76 1.55 16
  77 14.83 148
  78 8.83 88
  79 7.22 72
  89 2.83 28
  90 99.99 999
  92 8.32 83
  102 1.35 14
  103 5.8 58
  104 2.77 28
  105 21.92 219
  106 55.77 558
  107 5.09 51
//