ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009667
RECORD_TITLE: METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL 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$NAME: METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O
CH$EXACT_MASS: 248.12012
CH$SMILES: CC(=O)c(c4)cc(C3)c(c14)c(c2C3)c(ccc2)CC1
CH$IUPAC: InChI=1S/C18H16O/c1-11(19)16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-4,9-10H,5-8H2,1H3
CH$LINK: INCHIKEY INKIBYZEUXUPPA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00232001

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$SPLASH: splash10-000t-0190000000-0cfe72c2a12a713cd66f
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  43 21.3 213
  44 1.6 16
  76 1.5 15
  88 0.24 2
  89 3 30
  95 2.1 21
  100 2 20
  101 0.84 8
  102 1.7 17
  103 2 20
  109 1.8 18
  110 0.23 2
  115 1.7 17
  116 2.4 24
  117 1.9 19
  150 0.16 2
  151 1.8 18
  152 2.4 24
  163 1.7 17
  164 0.13 1
  165 5.8 58
  166 1 10
  175 1 10
  176 0.27 3
  177 1.5 15
  178 3.7 37
  179 1.2 12
  187 0.12 1
  188 1.1 11
  189 16.9 169
  190 15.5 155
  191 0.3 3
  200 6.6 66
  201 6.8 68
  202 31.3 313
  203 2.55 26
  204 7.7 77
  205 18.6 186
  206 3.7 37
  219 0.16 2
  231 2.4 24
  233 93.7 937
  234 18 180
  235 0.18 2
  246 1.8 18
  248 99.99 999
  249 19.9 199
  250 2.2 22
//