MassBank Record: JP009516



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

ACCESSION: JP009516
RECORD_TITLE: BENOXAPROFENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: BENOXAPROFENE CH$NAME: 2-(4-CHLOROPHENYL)-ALPHA-METHYL-5-BENZOXAZOLEACETIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H12ClNO3 CH$EXACT_MASS: 301.05057 CH$SMILES: OC(=O)C(C)c(c3)cc(n1)c(c3)oc1c(c2)ccc(Cl)c2 CH$IUPAC: InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20) CH$LINK: INCHIKEY MITFXPHMIHQXPI-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-7294000000-6fce0cace9618294c879 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 27 1.94 19 28 1.67 17 39 8.25 83 41 2.42 24 45 6.33 63 50 3.54 35 51 6.48 65 52 1.23 12 53 1.52 15 62 3.1 31 64 3.78 38 65 24.18 242 66 1.85 19 74 1.56 16 75 5.77 58 76 3.27 33 77 2.4 24 87 1.24 12 88 1 10 89 10.27 103 90 4.02 40 91 44.68 447 92 4.48 45 93 1.81 18 102 3.91 39 111 3.36 34 113 1.18 12 119 22.81 228 120 2.84 28 128 3.5 35 129 1.24 12 137 7.02 70 138 1.79 18 139 4.23 42 149 1.31 13 221 1.94 19 229 2.67 27 230 1.44 14 242 2.84 28 255 4.74 47 256 99.99 999 257 19.18 192 258 34.13 341 259 5.96 60 266 1.26 13 301 48.38 484 302 9.37 94 303 16.76 168 304 3.14 31 //