ACCESSION: MSBNK-EPA-ENTACT_AGILENT001111
RECORD_TITLE: Tetrahydrocurcumin; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-002r-0901000000-f73b9a4a5cd3f7dea4a4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  137.059706 100.000005 999
  138.067531 1.516535 15
  163.075356 9.840162 98
  177.091006 42.491682 424
  179.070271 39.863764 398
  219.101571 2.394587 23
  231.101571 1.594325 15
  355.154 21.704452 216
  373.164565 2.31151 23
//