MassBank Record: JP002013



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

ACCESSION: JP002013
RECORD_TITLE: 3-(4-NITROPHENYL)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$NAME: 3-(4-NITROPHENYL)ISOXAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H6N2O3 CH$EXACT_MASS: 190.03784 CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)c(c1)noc1 CH$IUPAC: InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-6-14-10-9/h1-6H
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$SPLASH: splash10-002o-9600000000-cecdb58aa2ac05552e9c PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 27 5.4 54 29 22.5 225 30 12.4 124 34 0.22 2 37 2.5 25 38 5.6 56 39 13.2 132 40 0.41 4 41 2.6 26 42 6.1 61 45 1.8 18 49 0.11 1 50 34.2 342 51 14.8 148 52 4.5 45 53 0.15 2 61 2.7 27 62 14 140 63 27.7 277 64 0.61 6 65 4.2 42 66 1.2 12 68 1.4 14 73 0.17 2 74 11.6 116 75 30.3 303 76 29.5 295 77 1.16 12 78 2.9 29 86 2.9 29 87 5.4 54 88 1.01 10 89 68 680 90 13.2 132 102 15.5 155 103 0.41 4 104 4.7 47 114 4 40 115 7.1 71 116 1.67 17 117 2.5 25 118 3.3 33 131 3.6 36 132 1.01 10 133 1.5 15 143 31 310 144 9.5 95 145 0.13 1 148 5.9 59 159 1.2 12 160 4.4 44 161 0.12 1 162 11.6 116 163 1.2 12 174 5.4 54 189 9.67 97 190 99.99 999 191 11.8 118 //