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
//