ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009610
RECORD_TITLE: 1-ANTHRYL METHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 1-ANTHRYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c3)c(c1)c(cc3)cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)15-8-4-7-14-9-12-5-2-3-6-13(12)10-16(14)15/h2-10H,1H3
CH$LINK: INCHIKEY MGRRZBKEFOXFRI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70324669
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00di-2690000000-6ca20ea4cee470a873a1
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  43 7.9 79
  44 2.5 25
  51 1.7 17
  63 0.2 2
  74 1.8 18
  75 4.3 43
  76 1.3 13
  77 0.12 1
  83 1.3 13
  87 2.3 23
  88 17 170
  89 1.24 12
  95 1.4 14
  96 1.2 12
  98 1 10
  99 0.12 1
  101 1 10
  103 7.1 71
  110 5.8 58
  111 0.1 1
  126 1.8 18
  127 1.1 11
  149 1.5 15
  150 0.8 8
  151 12.8 128
  152 2.3 23
  163 1 10
  165 0.11 1
  174 3.2 32
  175 5 50
  176 34.8 348
  177 6.46 65
  178 11.1 111
  179 1.2 12
  189 4.1 41
  190 0.16 2
  191 2.9 29
  192 1.2 12
  202 1 10
  205 6.66 67
  206 11.4 114
  207 1.1 11
  219 2.6 26
  220 99.99 999
  221 17.7 177
  222 1.9 19
//
