ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010211
RECORD_TITLE: 1-(4-BENZYLOXY-3-METHOXYPHENYL)-5-HYDROXYDECAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-(4-BENZYLOXY-3-METHOXYPHENYL)-5-HYDROXYDECAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H32O4
CH$EXACT_MASS: 384.23006
CH$SMILES: CCCCCC(O)CC(=O)CCc(c1)cc(OC)c(OCc(c2)cccc2)c1
CH$IUPAC: InChI=1S/C24H32O4/c1-3-4-6-11-21(25)17-22(26)14-12-19-13-15-23(24(16-19)27-2)28-18-20-9-7-5-8-10-20/h5,7-10,13,15-16,21,25H,3-4,6,11-12,14,17-18H2,1-2H3
CH$LINK: INCHIKEY PTWSCGSMXVXGRT-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9500000000-430706b5f3a1e79f1e78
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  39 6.63 66
  41 10.5 105
  43 14.39 144
  55 11.93 119
  65 11.29 113
  77 5.25 53
  91 99.99 999
  92 9.19 92
  107 7.08 71
  119 5.31 53
  125 4.74 47
  133 4.38 44
  135 4.63 46
  136 4.48 45
  137 18.91 189
  149 18.87 189
  150 9.63 96
  151 14.59 146
  193 6.75 68
  227 4.89 49
  284 5.99 60
  384 14.38 144
  385 4.4 44
//
