ACCESSION: MSBNK-EPA-ENTACT_AGILENT001110
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-000i-0900000000-2b087dc27918c4f95876
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  66.046402 1.212252 12
  79.054227 1.150058 11
  94.041316 4.645287 46
  117.069877 1.125007 11
  122.036231 11.655963 116
  122.05736 1.09035 10
  137.059706 99.999996 999
  145.064791 1.385507 13
  179.070271 2.799727 27
//