ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009608
RECORD_TITLE: METHYL 3-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$NAME: METHYL 3-PHENANTHRYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
CH$LINK: INCHIKEY JKVNPRNAHRHQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9049243

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$SPLASH: splash10-056r-2960000000-7a779159d62e72607d5a
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  29 2 20
  39 1 10
  40 2.1 21
  43 1.5 15
  44 12 120
  51 1.9 19
  63 2.5 25
  74 0.23 2
  75 5 50
  76 1.8 18
  77 1.8 18
  87 0.27 3
  88 16.7 167
  89 6.9 69
  95 1.2 12
  96 0.3 3
  98 1.3 13
  99 1.7 17
  100 1 10
  101 0.1 1
  103 4.9 49
  110 1.2 12
  125 1 10
  126 0.27 3
  149 2.2 22
  150 12.4 124
  151 21 210
  152 0.4 4
  163 1.1 11
  165 1.5 15
  174 5 50
  175 0.74 7
  176 51.4 514
  177 64.6 646
  178 10.9 109
  179 0.11 1
  187 1.1 11
  189 4.8 48
  190 1.8 18
  191 0.22 2
  205 99.99 999
  206 16.7 167
  207 1.8 18
  220 7.17 72
  221 13.1 131
  222 1.8 18
//