ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007757
RECORD_TITLE: 2-ISOBUTYL-4,5-DIMETHYLOXAZOLE; 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$NAME: 2-ISOBUTYL-4,5-DIMETHYLOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15NO
CH$EXACT_MASS: 153.11536
CH$SMILES: CC(C)Cc(n1)oc(C)c(C)1
CH$IUPAC: InChI=1S/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
CH$LINK: INCHIKEY SNRVAFQIIFPYDR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70865269
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$SPLASH: splash10-03di-6900000000-44a7ebda9027de4ddda2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 14.12 141
  42 28 280
  43 44.52 445
  54 1.98 20
  55 12.14 121
  68 41.1 411
  69 35.96 360
  70 26.12 261
  81 2.96 30
  82 12.11 121
  84 2.02 20
  96 3.05 31
  110 83.03 830
  111 99.99 999
  112 23.04 230
  138 37.11 371
  139 4.98 50
  152 20.46 205
  153 47.85 479
  154 13.92 139
//
