ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000452
RECORD_TITLE: ISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
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$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-1aac4e80f3f43d9e0f74
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  25 7.2 72
  26 12.7 127
  27 11.8 118
  29 4.32 43
  30 6.9 69
  36 1.8 18
  37 9 90
  38 2.18 22
  39 25.1 251
  40 95 950
  41 60.5 605
  42 1.69 17
  43 4.2 42
  50 2.1 21
  51 4.2 42
  52 0.27 3
  53 1.5 15
  55 2.1 21
  56 1.5 15
  57 0.15 2
  67 1.8 18
  68 71.3 713
  69 99.99 999
  70 0.54 5
  71 2.4 24
//