ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009986
RECORD_TITLE: 3,5-DIMETHYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-DIMETHYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NO
CH$EXACT_MASS: 97.05276
CH$SMILES: Cc(n1)cc(C)o1
CH$IUPAC: InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
CH$LINK: INCHIKEY FICAQKBMCKEFDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059784
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f7k-9000000000-32507e190715b008cda0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  26 3.6 36
  27 11.8 118
  28 15.1 151
  37 0.12 1
  38 2.3 23
  39 10.4 104
  40 2.8 28
  41 0.5 5
  42 5.7 57
  43 49.1 491
  44 1.1 11
  51 0.2 2
  52 3.4 34
  53 1.8 18
  54 52 520
  55 2.48 25
  56 1.1 11
  63 1.2 12
  65 1.4 14
  68 0.2 2
  82 86.4 864
  83 4 40
  96 1.1 11
  97 99.99 999
  98 8.3 83
//
