MassBank Record: MSBNK-EPA-ENTACT_AGILENT001109
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001109
RECORD_TITLE: Tetrahydrocurcumin; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Tetrahydrocurcumin
CH$NAME: DTXSID30865801
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H24O6
CH$EXACT_MASS: 372.1572884994
CH$SMILES: COC1C=C(CCC(=O)CC(=O)CCC2C=C(OC)C(O)=CC=2)C=CC=1O
CH$IUPAC: InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
CH$LINK: CAS
36062-04-1
CH$LINK: INCHIKEY
LBTVHXHERHESKG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:124072
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 371.1500120477
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a71-9800000000-3d9fee23e1aad4945ece
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
41.003288 22.795585 227
57.034588 99.999999 999
57.070974 1.322741 13
69.034588 1.763544 17
91.018938 1.875015 18
99.045153 76.657148 765
99.081539 1.381023 13
108.021678 7.585022 75
111.045153 1.46924 14
121.029503 7.474333 74
123.045153 5.546673 55
134.037328 5.630238 56
135.045153 73.925407 738
136.052978 1.264419 12
149.060803 3.053712 30
160.052978 2.145061 21
161.024418 1.438946 14
162.032243 6.52013 65
163.040068 1.64021 16
177.055718 32.03316 320
178.063543 35.174944 351
193.087018 9.906035 98
//