ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007764
RECORD_TITLE: 4,5-DIMETHYL-2-PROPYLOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4,5-DIMETHYL-2-PROPYLOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NO
CH$EXACT_MASS: 139.09971
CH$SMILES: CCCc(n1)oc(C)c(C)1
CH$IUPAC: InChI=1S/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
CH$LINK: INCHIKEY SDRFPOFMNGISHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8068886
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03kc-8900000000-c97d1cefd5a9b3958d99
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 1.94 19
  29 3.76 38
  39 1.88 19
  41 12.37 124
  42 54.32 543
  43 62.71 627
  53 1 10
  54 8.46 85
  55 53.65 537
  56 1.02 10
  67 1.05 11
  68 40.52 405
  69 45.22 452
  70 46.98 470
  71 7.76 78
  82 6.36 64
  96 22.51 225
  97 1.3 13
  109 1.04 10
  110 88.43 884
  111 99.99 999
  112 23.28 233
  113 1.29 13
  124 54.74 547
  125 6.82 68
  138 30.54 305
  139 68.14 681
  140 22.64 226
//
