ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004312
RECORD_TITLE: 4-BENZOYL-3,5-DIMETHYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-BENZOYL-3,5-DIMETHYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11NO2
CH$EXACT_MASS: 201.07898
CH$SMILES: c(c2)ccc(c2)C(=O)c(c(C)1)c(C)on1
CH$IUPAC: InChI=1S/C12H11NO2/c1-8-11(9(2)15-13-8)12(14)10-6-4-3-5-7-10/h3-7H,1-2H3
CH$LINK: INCHIKEY UMVZSCXHLBVSCM-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-9620000000-b02dfc4fd57ca7c331cf
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  26 4.3 43
  27 10.2 102
  29 3.8 38
  38 0.38 4
  40 6.8 68
  41 11 110
  42 7.7 77
  43 5.65 57
  50 9.8 98
  51 93.6 936
  52 6 60
  53 0.3 3
  54 6 60
  55 3 30
  62 4.2 42
  63 0.94 9
  64 2.5 25
  65 3.4 34
  67 3 30
  68 0.25 3
  69 2.1 21
  74 3.4 34
  75 4.7 47
  76 0.6 6
  77 88 880
  78 0.8 8
  79 1.7 17
  80 0.34 3
  81 3.4 34
  82 20.4 204
  84 3.4 34
  88 0.21 2
  89 8.9 89
  90 4.8 48
  91 9.4 94
  92 0.48 5
  96 1.7 17
  101 1.7 17
  102 3 30
  104 0.51 5
  105 99.99 999
  106 8.1 81
  110 3.4 34
  115 0.38 4
  116 3 30
  117 4.3 43
  118 4.8 48
  119 0.25 3
  123 2.1 21
  124 18.7 187
  125 1.7 17
  126 0.13 1
  127 3 30
  128 2.5 25
  129 4.7 47
  130 1.49 15
  131 6.8 68
  132 2.5 25
  144 3 30
  145 0.17 2
  155 2.1 21
  158 14 140
  159 8.9 89
  160 0.25 3
  172 2.5 25
  173 1.7 17
  183 2.1 21
  184 0.38 4
  185 1.3 13
  186 40.8 408
  187 5.1 51
  199 0.38 4
  200 54.5 545
  201 49.2 492
  202 4.7 47
//
