ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001591
RECORD_TITLE: 1,7-DIMETHYLNAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 1,7-DIMETHYLNAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12
CH$EXACT_MASS: 156.09390
CH$SMILES: Cc(c1)cc(c(C)2)c(ccc2)c1
CH$IUPAC: InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
CH$LINK: CAS 575-37-1
CH$LINK: INCHIKEY SPUWFVKLHHEKGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7073197
AC$INSTRUMENT: VARIAN MAT-44
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: splash10-0bvo-7900000000-74d647e492c61f373c1f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  45 3.53 35
  50 7.57 76
  51 24.74 247
  52 4.04 40
  53 3.53 35
  55 4.54 45
  56 2.52 25
  59 4.04 40
  60 1.01 10
  61 1.51 15
  62 4.54 45
  63 29.29 293
  64 21.21 212
  65 5.55 56
  67 1.01 10
  69 4.54 45
  70 7.57 76
  71 12.12 121
  74 4.04 40
  75 8.08 81
  76 38.88 389
  77 35.85 359
  78 14.64 146
  79 1.01 10
  83 1.01 10
  85 2.02 20
  86 1.51 15
  87 2.52 25
  88 1.01 10
  89 5.05 51
  91 1.51 15
  101 1.51 15
  102 2.02 20
  103 1.01 10
  113 1.51 15
  114 1.01 10
  115 24.74 247
  116 2.52 25
  126 2.52 25
  127 6.06 61
  128 10.6 106
  129 5.05 51
  139 5.55 56
  140 1.51 15
  141 99.99 999
  142 11.61 116
  150 1.01 10
  151 3.03 30
  152 11.11 111
  153 12.12 121
  154 4.04 40
  155 20.2 202
  156 79.79 798
  157 10.1 101
//
