MassBank Record: JP000456



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

ACCESSION: JP000456
RECORD_TITLE: 4-BROMO-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$NAME: 4-BROMO-3,5-DIMETHYLISOXAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H6BrNO CH$EXACT_MASS: 174.96328 CH$SMILES: Cc(n1)c(Br)c(C)o1 CH$IUPAC: InChI=1S/C5H6BrNO/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$SPLASH: splash10-002f-9600000000-79d82ff76459c841c8ab PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 26 5.4 54 27 24.9 249 29 6.5 65 30 0.27 3 31 2.3 23 34 1.3 13 36 2.2 22 37 0.34 3 38 6.5 65 39 16.3 163 40 7.7 77 41 0.79 8 42 18.8 188 43 99.99 999 45 3.5 35 48 0.1 1 50 2.5 25 51 5.9 59 52 3 30 53 0.38 4 54 22.2 222 55 5.7 57 56 2.1 21 57 0.2 2 58 2.4 24 60 1.9 19 61 1.7 17 62 0.33 3 63 5.7 57 64 2.7 27 65 4.6 46 66 4.15 42 67 2.6 26 68 4.2 42 69 1.9 19 70 0.14 1 71 1.2 12 77 1.6 16 78 1.4 14 79 0.15 2 80 2.2 22 81 3.4 34 82 2 20 84 0.14 1 91 3 30 92 1.8 18 93 3.4 34 94 0.18 2 95 1.8 18 96 3.3 33 97 1 10 99 0.14 1 99.5 1.5 15 100 1.9 19 100.5 1.2 12 101 0.22 2 102 1 10 105 3.2 32 106 19.3 193 107 0.33 3 108 18.8 188 117 1.6 16 118 3.3 33 119 0.2 2 120 3 30 128 1 10 132 13.5 135 133 2.77 28 134 14.1 141 135 27.7 277 136 1.5 15 146 0.68 7 148 6.5 65 149 1 10 160 11.6 116 162 1.14 11 175 32.4 324 176 4 40 177 32.4 324 178 2.2 22 //