ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004837
RECORD_TITLE: 9,10-DICYANOANTHRACENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 9,10-DICYANOANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₈N₂
CH$EXACT_MASS: 228.06875
CH$SMILES: N#Cc(c21)c(c3)c(ccc3)c(C#N)c(cccc2)1
CH$IUPAC: InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H
CH$LINK: CAS 1217-45-4
CH$LINK: INCHIKEY BIOPPFDHKHWJIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061628

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-004i-1190000000-b58b7eb7ac26e99fd7ca
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  51 1.1 11
  73 1.21 12
  74 2.26 23
  75 2.26 23
  86 1.21 12
  87 5.91 59
  88 1.45 15
  98 1.16 12
  99 1.33 13
  100 2.55 26
  101 6.5 65
  114 6.9 69
  147 1.04 10
  150 1.16 12
  151 1.16 12
  174 2.95 30
  175 3.59 36
  176 1.39 14
  177 1.1 11
  199 3.54 35
  200 5.62 56
  201 8.76 88
  202 3.07 31
  207 1.56 16
  226 3.13 31
  227 5.74 57
  228 99.99 999
  229 18.97 190
  230 1.68 17
//