ACCESSION: MSBNK-RIKEN_NPDepo-CB000450
RECORD_TITLE: Lapidin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids
CH$NAME: Lapidin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C20H30O4
CH$EXACT_MASS: 334.4597
CH$SMILES: C/C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
CH$IUPAC: InChI=1S/C20H30O4/c1-7-14(5)18(22)24-15-10-13(4)11-16(21)19(6)8-9-20(23,12(2)3)17(15)19/h7,11-12,15,17,23H,8-10H2,1-6H3/b14-7+/t15-,17+,19+,20+/m0/s1
CH$LINK: CAS
79863-24-4
CH$LINK: CHEMSPIDER
4944881
CH$LINK: INCHIKEY
YMWBTMBPEHUMBA-FAKHFBMMSA-N
CH$LINK: PUBCHEM
CID:11872435
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0019-0890000000-23dfd5a920939ea40e14
PK$NUM_PEAK: 291
PK$PEAK: m/z int. rel.int.
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