ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009640
RECORD_TITLE: METHYL 9-PHENANTHRYL 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$NAME: METHYL 9-PHENANTHRYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3
CH$LINK: INCHIKEY UIFAWZBYTTXSOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70174328

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$SPLASH: splash10-0a6r-2890000000-a0679b7b20448356d639
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  28 6.5 65
  32 1.6 16
  43 11.2 112
  63 0.13 1
  74 1.5 15
  75 2.8 28
  76 1.1 11
  87 0.18 2
  88 7.4 74
  89 3.7 37
  95 1.1 11
  98 0.11 1
  99 1.3 13
  101 1.1 11
  103 2.5 25
  110 0.47 5
  126 2 20
  139 1.1 11
  149 2.1 21
  150 1.15 12
  151 16.2 162
  152 3.5 35
  163 1.7 17
  165 0.25 3
  174 5.2 52
  175 8.2 82
  176 53.4 534
  177 7.56 76
  178 14.6 146
  179 1.8 18
  187 1.6 16
  188 0.1 1
  189 5 50
  190 1.7 17
  191 2.7 27
  205 99.99 999
  206 16.8 168
  207 1.5 15
  219 1.4 14
  220 6.24 62
  221 11 110
  222 1.1 11
//