ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002950
RECORD_TITLE: ISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY CTAPFRYPJLPFDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059775

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-e35161aa93f86c57f4df
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  13 4.88 49
  14 49.14 491
  15 3.26 33
  17 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
  37 5.27 53
  38 15.98 160
  39 19.44 194
  40 84.06 841
  41 40.53 405
  42 11.78 118
  68 72.47 725
  69 99.99 999
  70 6.53 65
//