ACCESSION: MSBNK-RIKEN_NPDepo-NGA01614
RECORD_TITLE: Lapidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0019000000-0bad544367b701fd42bc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  256.7 4.22 4
  256.8 4.91 4
  256.9 8.03 8
  257.0 13.03 13
  257.1 15.97 15
  257.2 14.02 14
  257.3 9.33 9
  257.4 5.97 5
  356.2 3.96 3
  356.3 5.73 5
  356.4 8.86 8
  356.5 10.15 10
  356.6 9.67 9
  356.7 13.93 13
  356.8 28.08 28
  356.9 47.56 47
  357.0 64.38 64
  357.1 78.09 78
  357.2 90.84 90
  357.3 94.91 94
  357.4 78.7 78
  357.5 45.78 45
  357.6 15.22 15
  357.7 0.91 0
//