ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009619
RECORD_TITLE: 9,10-DIHYDRO-2-PHENANTHRYL 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$NAME: 9,10-DIHYDRO-2-PHENANTHRYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O
CH$EXACT_MASS: 222.10447
CH$SMILES: CC(=O)c(c3)cc(C1)c(c3)c(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C16H14O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-5,8-10H,6-7H2,1H3
CH$LINK: INCHIKEY JLABAJAYOGFVQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00277497

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$SPLASH: splash10-0ab9-2390000000-c57fcda2353c4649c998
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  43 9 90
  44 5 50
  57 1.1 11
  59 0.1 1
  63 1.9 19
  75 1.9 19
  76 7.8 78
  82 0.14 1
  88 5.5 55
  89 9.5 95
  90 1.8 18
  96 0.48 5
  97 2.6 26
  103 4.8 48
  104 4.9 49
  115 0.12 1
  150 1.8 18
  151 3.8 38
  152 5 50
  153 0.11 1
  176 7.5 75
  177 6.4 64
  178 33.5 335
  179 2.72 27
  180 4 40
  207 99.99 999
  208 16.7 167
  209 0.18 2
  222 70.6 706
  223 12.7 127
  224 1.5 15
//