MassBank Record: JP001420



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

ACCESSION: JP001420
RECORD_TITLE: CURCUMIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: CURCUMIN CH$NAME: 1,7-BIS(4-HYDROXY-3-METHOXYPHENYL)-1,6-HEPTADIENE-3,5-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H20O6 CH$EXACT_MASS: 368.12599 CH$SMILES: COc(c(O)2)cc(cc2)C([H])=C([H])C(=O)CC(=O)C([H])=C([H])c(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fbc-0923000000-107f42bbc825be91449b PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 18 21.3 213 97 2.5 25 107 4.8 48 109 0.8 8 117 6.9 69 124 16.2 162 129 2.3 23 131 1.35 14 135 17.3 173 137 37.5 375 138 6 60 145 49.3 493 146 0.81 8 147 16.3 163 148 1.7 17 149 8 80 150 4.36 44 151 9.1 91 159 6.4 64 160 4.9 49 161 1.44 14 162 6.7 67 163 8.7 87 164 7.5 75 174 1.19 12 175 22.9 229 176 10.4 104 177 99.99 999 178 1.78 18 184 3.7 37 190 86.4 864 191 53.7 537 192 4.4 44 193 8 80 194 1.7 17 201 6 60 202 1.04 10 203 7.6 76 204 5 50 216 2.8 28 217 2.36 24 218 8.6 86 219 3.5 35 226 22.2 222 227 0.8 8 228 7.8 78 230 6.7 67 231 7.4 74 232 2.11 21 233 3.6 36 244 19 190 245 2.5 25 265 0.8 8 270 4.4 44 271 2.6 26 272 21.9 219 285 0.87 9 307 2.7 27 319 6 60 320 11.6 116 321 0.25 3 322 1.8 18 326 8 80 333 3.3 33 335 1.16 12 337 1.6 16 349 13.6 136 350 84.9 849 351 2.59 26 352 8.4 84 368 57.2 572 369 15.1 151 370 5.1 51 //