ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010210
RECORD_TITLE: 3-(4-BENZYLOXY-3-METHOXYSTYRYL)-5-PENTYL-2-ISOXAZOLINE; 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$NAME: 3-(4-BENZYLOXY-3-METHOXYSTYRYL)-5-PENTYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H29NO3
CH$EXACT_MASS: 379.21474
CH$SMILES: CCCCCC(O3)CC(=N3)C=Cc(c1)cc(OC)c(OCc(c2)cccc2)c1
CH$IUPAC: InChI=1S/C24H29NO3/c1-3-4-6-11-22-17-21(25-28-22)14-12-19-13-15-23(24(16-19)26-2)27-18-20-9-7-5-8-10-20/h5,7-10,12-16,22H,3-4,6,11,17-18H2,1-2H3/b14-12+
CH$LINK: INCHIKEY ASTZGWAWISXKOA-WYMLVPIESA-N
AC$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: splash10-0006-9000000000-a9f0189c8857ae24f428
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 4.8 48
  41 11.18 112
  43 7.65 77
  51 3.93 39
  55 3.67 37
  66 13.8 138
  77 2.35 24
  89 2.29 23
  91 99.99 999
  92 8.33 83
  146 2.58 26
  160 6.24 62
  188 3.09 31
  192 3.19 32
  216 1.38 14
  288 7.11 71
  289 1.79 18
  378 1.33 13
  379 2.7 27
//
