ACCESSION: MSBNK-RIKEN_NPDepo-NGA01613
RECORD_TITLE: Lapidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0a4i-0009000000-9390d7271ed6c8685f02
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  257.0 2.92 2
  257.1 5.45 5
  257.2 8.4 8
  257.3 9.71 9
  257.4 8.16 8
  257.5 4.85 4
  356.6 2.87 2
  356.7 6.36 6
  356.8 18.27 18
  356.9 41.43 41
  357.0 70.15 70
  357.1 92.2 92
  357.2 99.83 99
  357.3 93.41 93
  357.4 75.21 75
  357.5 48.1 48
  357.6 20.35 20
  357.7 3.7 3
//