ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009358
RECORD_TITLE: 3-(1,3-PENTADIENYL)-5-PHENYL-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$NAME: 3-(1,3-PENTADIENYL)-5-PHENYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H15NO
CH$EXACT_MASS: 213.11536
CH$SMILES: CC=CC=CC(=N2)CC(O2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H15NO/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h2-10,14H,11H2,1H3/b3-2+,10-5+
CH$LINK: INCHIKEY LDBCNEIPFQCAMB-XPQLPGEHSA-N
AC$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: splash10-0fbd-9700000000-d23dd8b3b21465ecaf79
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  37 5.85 59
  38 50.11 501
  39 8.48 85
  40 27.61 276
  50 14.24 142
  51 43.61 436
  52 17.07 171
  53 14.66 147
  55 8.66 87
  63 15.16 152
  65 26.27 263
  66 13.29 133
  76 5.94 59
  77 68.47 685
  78 38.62 386
  79 11.58 116
  80 11.3 113
  89 8.26 83
  91 35.58 356
  92 16.13 161
  102 6.25 63
  103 25.73 257
  104 46.41 464
  105 18.68 187
  115 19.36 194
  128 12.1 121
  129 6.54 65
  130 8.8 88
  139 2.79 28
  141 10.6 106
  142 4.25 43
  143 2.35 24
  152 1.8 18
  153 8 80
  154 4.01 40
  155 5.11 51
  165 6.48 65
  166 3.01 30
  167 6.12 61
  168 9.49 95
  169 2.64 26
  170 2.71 27
  180 24.92 249
  181 4.94 49
  183 2 20
  194 2.24 22
  196 2.46 25
  198 99.99 999
  199 15.19 152
  200 1.84 18
  212 3.02 30
  213 29.56 296
  214 5.26 53
//
