MassBank Record: JP000207

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ORTHO XYLENE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000207
RECORD_TITLE: ORTHO XYLENE; 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$NAME: ORTHO XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10
CH$EXACT_MASS: 106.078249999999997044142219237983226776123046875
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$LINK: COMPTOX DTXSID3021807
CH$LINK: INCHIKEY CTQNGGLPUBDAKN-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9200000000-91162619463de43f7b46
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 5.07 51
  38 1.66 17
  39 12.77 128
  41 1.4 14
  50 4.9 49
  51 11.02 110
  52 3.15 32
  53 2.27 23
  62 1.92 19
  63 6.04 60
  65 8.49 85
  77 12.51 125
  78 6.82 68
  79 7.61 76
  89 1.75 18
  91 99.99 999
  92 7 70
  103 4.64 46
  104 1.75 18
  105 15.4 154
  106 33.51 335
  107 2.62 26
//