ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009601
RECORD_TITLE: 9-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$NAME: 9-ANTHRYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O
CH$EXACT_MASS: 220.08882
CH$SMILES: CC(=O)c(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
CH$LINK: INCHIKEY NXXNVJDXUHMAHU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90229061

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$SPLASH: splash10-056r-3960000000-64db6bc268e501fca77a
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 3 30
  28 5.3 53
  32 1.2 12
  39 0.27 3
  42 2.7 27
  43 31.9 319
  44 1 10
  50 0.18 2
  51 2.1 21
  62 1.3 13
  63 3.1 31
  74 0.24 2
  75 3.9 39
  76 1.8 18
  77 1.3 13
  86 0.11 1
  87 2.8 28
  88 8.8 88
  89 4.8 48
  95 0.17 2
  96 1.7 17
  98 1.7 17
  99 1.9 19
  100 0.14 1
  101 2.2 22
  103 1.6 16
  110 3.8 38
  111 0.1 1
  125 1.1 11
  126 2.9 29
  127 1.3 13
  139 0.15 2
  149 2.3 23
  150 13.9 139
  151 19.8 198
  152 0.47 5
  163 2.3 23
  164 1 10
  165 3.4 34
  174 0.64 6
  175 9.5 95
  176 58.7 587
  177 68.8 688
  178 1.88 19
  179 3.2 32
  187 1.8 18
  188 1.3 13
  189 0.79 8
  190 2.7 27
  191 5.3 53
  192 3.8 38
  200 0.13 1
  202 1.8 18
  203 1.1 11
  204 1 10
  205 99.99 999
  206 16.8 168
  207 1.5 15
  219 4.7 47
  220 7.98 80
  221 14 140
  222 1.6 16
//