MassBank Record: MSBNK-EPA-ENTACT_AGILENT001108
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001108
RECORD_TITLE: Tetrahydrocurcumin; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 373.1645649511
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-000i-0900000000-1b395e2c6f7398f2e391
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
94.041316 1.056109 10
122.036231 2.225254 22
137.059706 99.999996 999
151.075356 1.560293 15
163.075356 3.030648 30
177.091006 9.777506 97
179.070271 11.439015 114
231.101571 1.380249 13
//