ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001607
RECORD_TITLE: BENZO(B)FLUORANTHENE; 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$NAME: BENZO(B)FLUORANTHENE
CH$NAME: 2,3-BENZFLUORANTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₂
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c1)c(c5)c(c4)c(c(cc4)2)c1c(c3)c(ccc3)2
CH$IUPAC: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
CH$LINK: CAS 205-99-2
CH$LINK: INCHIKEY FTOVXSOBNPWTSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023907

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$SPLASH: splash10-0ufr-2890000000-a03f6fadc54abc18c617
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  45 1.72 17
  51 1.23 12
  55 4.19 42
  56 1.48 15
  57 4.19 42
  58 1.97 20
  60 1.23 12
  63 1.48 15
  67 1.23 12
  68 1.23 12
  69 6.17 62
  71 1.23 12
  73 1.23 12
  74 1.48 15
  75 1.72 17
  81 2.22 22
  83 2.71 27
  84 2.71 27
  87 2.46 25
  88 1.23 12
  99 3.45 35
  100 6.66 67
  101 2.22 22
  111 5.67 57
  112 20.74 207
  113 26.91 269
  114 1.23 12
  123 3.2 32
  124 18.02 180
  125 33.58 336
  126 41.72 417
  127 1.23 12
  200 1.72 17
  202 1.72 17
  222 1.23 12
  223 1.23 12
  224 4.69 47
  225 2.71 27
  226 2.71 27
  248 5.43 54
  249 4.19 42
  250 23.45 235
  251 8.64 86
  252 99.99 999
  253 20.49 205
  254 1.72 17
//