ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001609
RECORD_TITLE: INDENO(1,2,3-CD)PYRENE; 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$NAME: INDENO(1,2,3-CD)PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₂
CH$EXACT_MASS: 276.09390
CH$SMILES: c(c6)cc(c(c6)5)c(c4)c(c15)c(c3c4)c(c2cc3)c(ccc2)c1
CH$IUPAC: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
CH$LINK: CAS 193-39-5
CH$LINK: INCHIKEY SXQBHARYMNFBPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024153

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$SPLASH: splash10-004r-3980000000-4d0e178850db13903033
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  45 2.02 20
  54 1.44 14
  55 10.4 104
  56 3.17 32
  57 10.11 101
  59 1.73 17
  60 2.89 29
  63 1.15 12
  67 2.6 26
  68 1.44 14
  69 7.8 78
  70 1.73 17
  71 3.46 35
  73 2.6 26
  81 2.89 29
  82 1.15 12
  83 3.46 35
  84 1.44 14
  85 1.73 17
  87 1.15 12
  91 2.6 26
  92 4.91 49
  95 1.15 12
  97 1.44 14
  98 1.73 17
  99 2.02 20
  111 4.62 46
  112 6.35 64
  113 5.2 52
  123 6.35 64
  124 17.05 171
  125 19.65 197
  126 2.31 23
  135 5.2 52
  136 23.98 240
  137 49.13 491
  138 60.4 604
  139 4.04 40
  224 1.15 12
  246 1.15 12
  248 2.89 29
  249 1.44 14
  250 2.31 23
  252 3.46 35
  272 5.49 55
  273 5.2 52
  274 23.12 231
  275 16.18 162
  276 99.99 999
  277 25.14 251
  278 6.35 64
//