ACCESSION: MSBNK-RIKEN_NPDepo-NGA01508
RECORD_TITLE: 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Diterpenoids, Labdane diterpenoids, Sclareol diterpenoids

CH$NAME: 14,15-Epoxysclareol
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₂₀H₃₆O₃
CH$EXACT_MASS: 324.5081
CH$SMILES: CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@](C)(O)C1CO1
CH$IUPAC: InChI=1S/C20H36O3/c1-17(2)9-6-10-18(3)14(17)7-11-19(4,21)15(18)8-12-20(5,22)16-13-23-16/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16?,18-,19+,20-/m0/s1
CH$LINK: INCHIKEY SSSOHKBYCPCHHD-FMSLRJNNSA-N
CH$LINK: PUBCHEM CID:15825565

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+Na]+

PK$SPLASH: splash10-0002-0009000000-8b12fa62bab654df1029
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  346.3 1.23 1
  346.4 2.34 2
  346.5 4.33 4
  346.6 8.72 8
  346.7 16.28 16
  346.8 25.6 25
  346.9 35.4 35
  347.0 47.37 47
  347.1 63.82 63
  347.2 83.1 83
  347.3 98.43 98
  347.4 100.0 99
  347.5 81.03 80
  347.6 46.67 46
  347.7 13.86 13
  347.8 0.0 0
//