MassBank Record: NGA01506



 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01506
RECORD_TITLE: 14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0002-0009000000-eda6e3621b3b5c7808bb PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 346.3 0.54 0 346.4 2.25 2 346.5 4.72 4 346.6 6.75 6 346.7 8.8 8 346.8 15.13 15 346.9 30.83 30 347.0 55.07 55 347.1 79.67 79 347.2 95.95 95 347.3 100.0 99 347.4 90.34 90 347.5 66.74 66 347.6 35.36 35 347.7 9.0 8 347.8 0.0 0 //