ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001620
RECORD_TITLE: 5-NITROACENAPHTHENE; 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$NAME: 5-NITROACENAPHTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉NO₂
CH$EXACT_MASS: 199.06333
CH$SMILES: [O-1][N+1](=O)c(c1)c(c3)c(c(cc3)2)c(CC2)c1
CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
CH$LINK: INCHIKEY CUARLQDWYSRQDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020960

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$SPLASH: splash10-0udi-3900000000-47db36c0747a33d8ab45
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  40 1.22 12
  43 1.09 11
  46 10.34 103
  49 1.27 13
  50 15.52 155
  51 18.48 185
  52 4.05 41
  53 1.11 11
  61 3.74 37
  62 12.01 120
  63 26.59 266
  64 3.06 31
  65 2.28 23
  73 1.69 17
  74 13.91 139
  75 20.12 201
  76 20.64 206
  77 8.63 86
  78 1.32 13
  85 1.92 19
  86 5.82 58
  87 7.82 78
  88 2.62 26
  89 3.71 37
  91 1.11 11
  98 5.01 50
  99 4.52 45
  100 2.6 26
  101 3.38 34
  102 3.77 38
  110 1.32 13
  111 1.56 16
  113 2.96 30
  114 2.78 28
  115 24.23 242
  116 5.12 51
  122 1.14 11
  125 3.01 30
  126 10.34 103
  127 7.59 76
  128 2.34 23
  129 1.53 15
  138 1.22 12
  139 9.95 100
  140 5.79 58
  141 31.64 316
  142 7.67 77
  143 4.23 42
  144 2 20
  149 2.39 24
  150 18.33 183
  151 40.24 402
  152 99.99 999
  153 41.88 419
  154 6.52 65
  168 3.01 30
  169 24.93 249
  170 5.48 55
  171 2.28 23
  181 1.3 13
  182 13.15 132
  183 3.95 40
  198 10.68 107
  199 49.47 495
  200 8.86 89
//