MassBank Record: JP002987



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

ACCESSION: JP002987
RECORD_TITLE: 3-BENZOYL-4-PHENYLCOUMARIN; 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$NAME: 3-BENZOYL-4-PHENYLCOUMARIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H14O3 CH$EXACT_MASS: 326.09429 CH$SMILES: c(c4)ccc(c4)C(=O)C(C(=O)1)=C(c(c3)cccc3)c(c2)c(ccc2)O1 CH$IUPAC: InChI=1S/C22H14O3/c23-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-22(20)24/h1-14H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004j-5795000000-96a9b886ff3c0cc58f15 PK$NUM_PEAK: 236 PK$PEAK: m/z int. rel.int. 12 0.1 1 13 0.1 1 14 0.1 1 15 0.01 0 16 0.1 1 17 0.1 1 18 0.8 8 20 0.05 1 24 0.1 1 25 0.4 4 26 1.7 17 27 0.01 0 28 8.5 85 29 0.2 2 31 0.2 2 32 0.01 0 36 0.1 1 37 0.2 2 38 0.3 3 39 0.32 3 40 0.2 2 41 0.2 2 42 0.1 1 43 0.01 0 44 1.1 11 48 0.1 1 49 0.4 4 50 0.31 3 51 12.6 126 52 1.3 13 53 0.2 2 55 0.01 0 57 0.1 1 61 0.2 2 62 1.1 11 63 0.03 0 64 0.5 5 65 0.6 6 66 0.1 1 69 0.01 0 73 0.2 2 74 1.9 19 75 2.4 24 76 0.32 3 77 81.6 816 78 6.3 63 79 0.3 3 80 0.01 0 81 0.1 1 82 0.2 2 83 0.1 1 84 0.01 0 85 0.1 1 86 0.9 9 87 1.7 17 88 0.12 1 89 1.6 16 90 0.2 2 91 0.2 2 92 0.01 0 93 0.1 1 94 0.2 2 95 0.1 1 96 0.01 0 97 0.1 1 98 0.8 8 99 0.6 6 100 0.06 1 101 0.9 9 102 0.5 5 103 0.2 2 104 0.07 1 105 79.8 798 106 6.3 63 107 0.6 6 108 0.02 0 109 0.1 1 110 0.3 3 111 0.4 4 112 0.04 0 113 2.1 21 114 0.5 5 115 2 20 116 0.03 0 118 0.1 1 119 0.5 5 120 0.8 8 121 0.05 1 122 0.6 6 123 0.1 1 124 0.2 2 125 0.08 1 126 2.9 29 127 0.7 7 128 0.4 4 129 0.08 1 130 0.1 1 131 0.1 1 132 0.1 1 133 0.02 0 134 2.1 21 135 3.5 35 136 0.2 2 137 0.07 1 138 0.9 9 139 3.8 38 140 0.9 9 141 0.02 0 142 0.3 3 147 0.1 1 148 0.2 2 149 0.11 1 150 1.1 11 151 3 30 152 1.7 17 153 0.05 1 154 0.5 5 155 0.1 1 161 0.2 2 162 0.17 2 163 10.4 104 164 5.1 51 165 19.3 193 166 0.29 3 167 0.3 3 168 0.1 1 174 0.2 2 175 0.06 1 176 5.7 57 177 3.2 32 178 0.7 7 179 0.01 0 180 0.4 4 181 0.6 6 182 0.1 1 186 0.01 0 187 0.3 3 188 0.2 2 189 0.4 4 190 0.01 0 191 0.1 1 192 0.6 6 193 3.6 36 194 0.09 1 195 0.1 1 199 0.1 1 200 0.3 3 201 0.01 0 202 0.3 3 203 0.1 1 204 0.1 1 205 0.11 1 206 0.3 3 207 0.1 1 211 0.1 1 212 0.01 0 213 0.5 5 214 0.1 1 215 0.4 4 216 0.01 0 218 0.1 1 219 0.1 1 220 1.4 14 221 2.37 24 222 3.9 39 223 0.5 5 224 0.2 2 225 0.01 0 226 0.5 5 227 0.2 2 228 0.1 1 229 0.01 0 233 0.9 9 234 0.2 2 235 0.1 1 236 0.01 0 237 0.4 4 238 0.2 2 239 2.2 22 240 0.07 1 241 1.8 18 242 0.5 5 243 0.1 1 244 0.01 0 247 0.1 1 248 0.3 3 249 51.8 518 250 0.94 9 251 1.5 15 252 1.8 18 253 3.6 36 254 0.09 1 255 0.8 8 256 0.2 2 257 0.2 2 258 0.01 0 263 0.1 1 264 0.1 1 265 0.2 2 266 0.01 0 267 0.1 1 268 1.2 12 269 2.3 23 270 0.38 4 271 0.9 9 272 0.1 1 273 0.1 1 279 0.02 0 280 0.3 3 281 6.9 69 282 2.1 21 283 0.04 0 284 0.2 2 285 0.1 1 294 0.1 1 295 0.02 0 296 1 10 297 89 890 298 28.1 281 299 0.44 4 300 0.5 5 301 0.1 1 307 0.1 1 308 0.02 0 309 0.2 2 310 0.4 4 311 0.3 3 312 0.02 0 313 0.1 1 323 0.1 1 324 0.5 5 325 2.63 26 326 99.99 999 327 24.6 246 328 3.4 34 329 0.4 4 //