MassBank Record: JP003368



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

ACCESSION: JP003368
RECORD_TITLE: MONOCRESYL DIPHENYL PHOSPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: MONOCRESYL DIPHENYL PHOSPHATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H17O4P CH$EXACT_MASS: 340.08645 CH$SMILES: Cc(c3)ccc(c3)OP(=O)(Oc(c2)cccc2)Oc(c1)cccc1 CH$IUPAC: InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004l-3439000000-39b0fd3428db88443995 PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 47 4.6 46 50 4 40 51 14 140 52 3.5 35 53 3.3 33 62 4 40 63 2 20 65 2.42 24 66 3 30 76 2 20 77 37.8 378 78 0.97 10 79 8.9 89 89 3.8 38 90 5.8 58 91 1.76 18 92 3 30 93 3.5 35 94 13.2 132 103 0.3 3 104 3.8 38 105 3.5 35 106 2 20 107 1.2 12 108 13.5 135 109 2 20 115 2.5 25 121 0.33 3 122 3 30 139 2.5 25 140 2.8 28 141 0.3 3 152 3 30 153 2.8 28 154 2.3 23 155 0.2 2 165 17.1 171 166 8.6 86 167 3.3 33 168 0.51 5 169 9.7 97 170 13.2 132 171 2 20 178 0.25 3 179 9.7 97 180 6.9 69 181 5.6 56 182 0.4 4 183 5.1 51 184 9.4 94 185 2 20 193 0.25 3 194 4.8 48 195 8.4 84 196 3.3 33 197 0.2 2 198 3.3 33 209 2.3 23 215 9.9 99 216 0.2 2 227 2.5 25 228 7.4 74 229 9.4 94 230 0.23 2 231 2.3 23 232 6.9 69 233 14.8 148 234 0.25 3 241 3 30 242 3.8 38 243 4 40 244 0.2 2 245 2.3 23 246 6.9 69 247 12.5 125 248 0.28 3 249 3 30 260 2.5 25 261 5.8 58 262 0.23 2 263 2.5 25 275 2.5 25 277 2 20 291 0.25 3 325 43.9 439 326 66.4 664 327 13.5 135 328 0.2 2 339 49.3 493 340 99.99 999 341 21.9 219 342 2.5 25 //