ACCESSION: MSBNK-EPA-ENTACT_AGILENT001433
RECORD_TITLE: dl-Norgestrel; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: dl-Norgestrel
CH$NAME: DTXSID3047477
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₈O₂
CH$EXACT_MASS: 312.2089301378
CH$SMILES: CCC12CCC3C4CCC(=O)C=C4CCC3C1CCC2(O)C#C
CH$IUPAC: InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3
CH$LINK: CAS 6533-00-2
CH$LINK: INCHIKEY WWYNJERNGUHSAO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16051930

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$FOCUSED_ION: PRECURSOR_M/Z 313.2162065895
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0009000000-3e23adfe563e2cf016c1
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  109.064791 1.581118 15
  119.085527 1.046273 10
  123.080441 1.084468 10
  133.101177 1.191235 11
  199.148127 1.024119 10
  245.189992 4.786856 47
  277.195077 1.167147 11
  295.205642 4.428515 44
  313.216207 100.000001 999
//