ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011798
RECORD_TITLE: CORONENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CORONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₁₂
CH$EXACT_MASS: 300.09390
CH$SMILES: c(c42)(c71)c(c3)ccc1ccc(c67)ccc(c56)ccc(c45)ccc2c3
CH$IUPAC: InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
CH$LINK: INCHIKEY VPUGDVKSAQVFFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047740

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0udi-2249000000-4fe84853d495cc9162e8
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39 3.99 40
  41 2.55 26
  42 1.63 16
  43 2.49 25
  50 1.75 18
  51 2.26 23
  53 2.95 30
  54 1.45 15
  55 1.76 18
  62 1.34 13
  63 1.43 14
  69 1.61 16
  74 1.27 13
  77 1.28 13
  81 2.39 24
  82 1.54 15
  105 1.91 19
  110 3.55 36
  135 2 20
  136 2.26 23
  137 1.24 12
  147 1.68 17
  148 3.33 33
  149 8.69 87
  150 14.85 149
  272 1.31 13
  274 1.33 13
  275 1.27 13
  276 6.27 63
  294 2.54 25
  295 2.73 27
  296 9.17 92
  297 5.62 56
  298 19.69 197
  299 12.08 121
  300 99.99 999
  301 23.79 238
  302 3.98 40
//