ACCESSION: MSBNK-EPA-ENTACT_AGILENT001107
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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$SPLASH: splash10-00dr-1159000000-66b410beccd631666d15
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.034588 1.397878 13
  99.045153 10.420027 104
  177.055718 3.339664 33
  193.087018 9.73992 97
  207.102668 1.3297 13
  235.097583 54.168109 541
  235.155097 1.069897 10
  247.097583 1.856115 18
  249.113233 5.482654 54
  371.150012 99.999996 999
//