ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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: Curcuma
CH$NAME: (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₀O₆
CH$EXACT_MASS: 368.125988
CH$SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
CH$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+
CH$LINK: CAS 458-37-7
CH$LINK: CHEMSPIDER 839564
CH$LINK: COMPTOX DTXSID8031077
CH$LINK: INCHIKEY VFLDPWHFBUODDF-FCXRPNKRSA-N
CH$LINK: NIKKAJI J5.762B
CH$LINK: PUBCHEM CID:969516

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
//