ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009609
RECORD_TITLE: METHYL 2-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$NAME: METHYL 2-PHENANTHRYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c3)cc(c1)c(c3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3
CH$LINK: INCHIKEY CWILMKDSVMROHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60208282

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$SPLASH: splash10-0adi-2590000000-c6d68d0639bbf7115b91
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  43 8.8 88
  44 12.2 122
  51 1.3 13
  56 0.1 1
  63 1.7 17
  74 1.7 17
  75 3.9 39
  76 0.13 1
  77 1.1 11
  83 1.2 12
  87 2.2 22
  88 2 20
  89 9 90
  95 1.7 17
  99 1.2 12
  103 1.08 11
  110 1.4 14
  126 1.7 17
  149 1.6 16
  150 0.77 8
  151 13.1 131
  152 2.3 23
  174 3.5 35
  175 0.5 5
  176 37 370
  177 53.8 538
  178 9.2 92
  189 0.32 3
  190 1.2 12
  191 1.5 15
  205 99.99 999
  206 1.68 17
  207 2.8 28
  220 75.4 754
  221 13.2 132
  222 1.6 16
//