MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001420
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
//