ACCESSION: MSBNK-RIKEN_NPDepo-NGA01615
RECORD_TITLE: Lapidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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$SPLASH: splash10-0a4i-0196000000-7459dc413c8c8c88012e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  162.7 2.9 2
  162.8 4.74 4
  162.9 7.97 7
  163.0 11.39 11
  163.1 12.93 12
  163.2 11.14 11
  163.3 6.87 6
  256.6 2.07 2
  256.7 6.71 6
  256.8 18.77 18
  256.9 38.1 38
  257.0 58.83 58
  257.1 72.61 72
  257.2 73.8 73
  257.3 61.57 61
  257.4 40.22 40
  257.5 18.56 18
  257.6 4.83 4
  356.5 2.39 2
  356.6 3.28 3
  356.7 12.85 12
  356.8 35.46 35
  356.9 61.93 61
  357.0 71.9 71
  357.1 55.26 55
  357.2 25.57 25
  357.3 4.76 4
//