ACCESSION: MSBNK-RIKEN_NPDepo-NGA01737
RECORD_TITLE: Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal, Pregnanes

CH$NAME: Progesterone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₂₁H₃₀O₂
CH$EXACT_MASS: 314.4721
CH$SMILES: CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
CH$IUPAC: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21+/m0/s1
CH$LINK: CAS 57-83-0
CH$LINK: CHEMSPIDER 5773
CH$LINK: INCHIKEY RJKFOVLPORLFTN-KKINBUFLSA-N
CH$LINK: PUBCHEM CID:44135692

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0009000000-7eeb3d6a8219792fa6fa
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  314.4 1.19 1
  314.5 3.37 3
  314.6 6.85 6
  314.7 12.51 12
  314.8 22.76 22
  314.9 39.77 39
  315.0 61.87 61
  315.1 82.96 82
  315.2 96.7 96
  315.3 100.0 99
  315.4 91.4 91
  315.5 70.28 70
  315.6 41.0 40
  315.7 14.21 14
  315.8 0.63 0
//