MassBank Record: NGA01505



 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01505
RECORD_TITLE: 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0002-0009000000-56fc4c22f8b59e6fdf4a PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 346.4 0.99 0 346.5 2.19 2 346.6 5.38 5 346.7 11.03 11 346.8 19.53 19 346.9 31.65 31 347.0 47.66 47 347.1 66.45 66 347.2 85.52 85 347.3 99.71 99 347.4 100.0 99 347.5 79.67 79 347.6 44.72 44 347.7 12.61 12 347.8 0.14 0 //