MassBank Record: JP000452



 ISOXAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //