MassBank Record: JP000458



 4-IODO-3,5-DIMETHYLISOXAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000458
RECORD_TITLE: 4-IODO-3,5-DIMETHYLISOXAZOLE; 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$NAME: 4-IODO-3,5-DIMETHYLISOXAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H6INO CH$EXACT_MASS: 222.94941 CH$SMILES: Cc(n1)c(I)c(C)o1 CH$IUPAC: InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
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$SPLASH: splash10-0fkc-9330000000-e00b5a722efdff6d17f8 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 26 7.2 72 27 34 340 29 3.3 33 30 0.12 1 31 0.6 6 36 1 10 37 2.9 29 38 0.66 7 39 18.5 185 40 6.9 69 41 5.2 52 42 1.61 16 43 85.5 855 45 1.3 13 50 2.1 21 51 0.47 5 52 8.9 89 53 5.6 56 54 62.5 625 55 0.4 4 56 1.1 11 61 1.6 16 62 3.5 35 63 0.65 7 64 2.5 25 65 7.2 72 66 4.3 43 67 0.16 2 68 5.2 52 69 1 10 80 1.2 12 81 1.7 17 82 1.4 14 96 40.8 408 97 2.8 28 101 0.12 1 127 15.5 155 128 10.2 102 139 3.8 38 141 0.17 2 153 2.7 27 154 11.8 118 165 3 30 166 0.47 5 167 1.4 14 180 12.7 127 181 34.8 348 182 0.28 3 194 6 60 198 3.4 34 199 5.9 59 200 0.8 8 201 4.4 44 202 7.8 78 204 2.4 24 208 2.14 21 209 1 10 222 1.4 14 223 99.99 999 224 6.5 65 //