ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009362
RECORD_TITLE: 3-PHENYLACETYL-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$NAME: 3-PHENYLACETYL-5-PENTYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO2
CH$EXACT_MASS: 259.15723
CH$SMILES: CCCCCC(O2)CC(=N2)C(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H21NO2/c1-2-3-5-10-14-12-15(17-19-14)16(18)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3
CH$LINK: INCHIKEY YFVLMZMPHAZJIT-UHFFFAOYSA-N
AC$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: splash10-0a4l-8290000000-1d0e7e992309fd5214d9
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  38 6.62 66
  40 10.72 107
  41 3.39 34
  42 7.73 77
  43 2.82 28
  51 2.53 25
  55 11.11 111
  56 2.36 24
  57 3.3 33
  63 2.73 27
  65 11.83 118
  67 3.34 33
  69 2.66 27
  80 5.07 51
  89 3.3 33
  90 3.28 33
  91 89 890
  92 8.08 81
  114 3.88 39
  118 2.59 26
  131 2.65 27
  159 3.93 39
  160 3.55 36
  168 37.58 376
  169 4.27 43
  188 2.42 24
  230 9 90
  258 99.99 999
  259 70.9 709
  260 12.39 124
//
