ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008272
RECORD_TITLE: ISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: ISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃NO
CH$EXACT_MASS: 69.02146
CH$SMILES: c(c1)con1
CH$IUPAC: InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
CH$LINK: CAS 288-14-2
CH$LINK: INCHIKEY CTAPFRYPJLPFDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059775

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-014l-9000000000-489fdc25b73cee13cb27
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  13 4.88 49
  14 49.14 491
  15 4.34 43
  18 30.04 300
  25 4.4 44
  26 8.47 85
  27 4.09 41
  29 34.65 347
  30 3.62 36
  31 1.79 18
  37 5.27 53
  38 15.98 160
  39 19.44 194
  40 84.06 841
  41 40.53 405
  42 11.78 118
  51 1.17 12
  68 72.47 725
  69 99.99 999
  70 6.53 65
//