ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001608
RECORD_TITLE: BENZO(K)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$NAME: BENZO(K)FLUORANTHENE
CH$NAME: 8,9-BENZFLUORANTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₂
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c1)c(c5)cc(c32)c1c(c4)c(c(cc4)ccc3)2
CH$IUPAC: InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
CH$LINK: CAS 207-08-9
CH$LINK: INCHIKEY HAXBIWFMXWRORI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023909

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$SPLASH: splash10-0udi-1690000000-bd7ea40b5b2181c94a73
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  55 3.28 33
  57 3.13 31
  63 1.19 12
  69 4.17 42
  74 1.19 12
  75 1.19 12
  81 1.34 13
  83 1.49 15
  84 2.23 22
  87 1.64 16
  99 2.23 22
  100 4.17 42
  101 1.79 18
  111 3.88 39
  112 14.77 148
  113 17.61 176
  123 2.08 21
  124 13.13 131
  125 26.26 263
  126 35.97 360
  223 1.04 10
  224 3.88 39
  225 1.94 19
  226 2.08 21
  248 5.07 51
  249 4.32 43
  250 22.83 228
  251 10.74 107
  252 99.99 999
  253 21.04 210
  254 1.94 19
//