ACCESSION: MSBNK-EPA-ENTACT_AGILENT001517
RECORD_TITLE: (6)-Gingerol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (6)-Gingerol
CH$NAME: DTXSID3041035
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₄
CH$EXACT_MASS: 294.1831093186
CH$SMILES: CCCCCC(O)CC(=O)CCC1C=CC(O)=C(C=1)OC
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
CH$LINK: CAS 23513-14-6
CH$LINK: INCHIKEY NLDDIKRKFXEWBK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:442793

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 295.1903857703
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0900000000-d224e05541104a073996
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55.054227 1.651494 16
  79.017841 1.116594 11
  81.069877 1.48933 14
  83.085527 3.46989 34
  94.041316 1.307562 13
  117.069877 2.741505 27
  122.036231 2.99181 29
  123.116827 2.261695 22
  137.059706 99.999999 999
  138.067531 1.404078 14
  141.127392 1.719388 17
  145.064791 13.38995 133
  162.067531 4.384588 43
  172.145781 1.650552 16
  177.091006 19.280646 192
  179.070271 6.360632 63
  189.091006 1.067471 10
  203.106656 1.162723 11
//