MassBank Record: NGA01508



 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01508
RECORD_TITLE: 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 324.50812 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$LINK: INCHIKEY SSSOHKBYCPCHHD-FMSLRJNNSA-N
AC$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 //