ACCESSION: MSBNK-EPA-ENTACT_AGILENT001106
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-000e-9650000000-85dca28f3297751393c1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.003288 8.455159 84
  57.034588 13.20047 131
  99.045153 99.999998 999
  99.081539 2.223562 22
  99.102668 1.149261 11
  111.045153 1.737991 17
  121.029503 1.931111 19
  123.045153 2.298989 22
  135.045153 3.319797 33
  177.055718 16.93763 169
  178.063543 6.747865 67
  193.087018 61.224256 611
  207.102668 3.572638 35
  235.097583 60.080848 600
  247.097583 1.097099 10
  249.113233 5.432956 54
  371.150012 4.623746 46
//