ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009354
RECORD_TITLE: 3-ACETYL-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$NAME: 3-ACETYL-5-PHENYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11NO2
CH$EXACT_MASS: 189.07898
CH$SMILES: CC(=O)C(=N2)CC(O2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H11NO2/c1-8(13)10-7-11(14-12-10)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
CH$LINK: INCHIKEY XILXRKZJQSENAD-UHFFFAOYSA-N
AC$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: splash10-0f6x-9200000000-d2db295f243187328f76
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  38 3.47 35
  39 11.21 112
  40 4.24 42
  41 2.74 27
  42 10.44 104
  43 99.99 999
  44 2.41 24
  50 11.21 112
  51 32.2 322
  52 7.31 73
  62 3.79 38
  63 8.88 89
  65 4.09 41
  74 5.32 53
  75 3.87 39
  76 4.35 44
  77 38.06 381
  78 16.75 168
  89 5.33 53
  91 5.52 55
  102 2.92 29
  103 7.31 73
  104 13.25 133
  105 15 150
  106 1.51 15
  115 17.22 172
  116 5.16 52
  117 1.71 17
  120 1.58 16
  128 2.53 25
  129 2.68 27
  130 2.36 24
  143 2.69 27
  172 2.21 22
  189 3.38 34
//
