ACCESSION: MSBNK-RIKEN_NPDepo-NGA00540
RECORD_TITLE: Austricin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids

CH$NAME: Austricin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₁₈O₄
CH$EXACT_MASS: 262.3083
CH$SMILES: CC1=CC(=O)C2=C(C)C[C@H](O)C3[C@H](C)C(=O)O[C@@H]3C12
CH$IUPAC: InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3/t8-,10-,12?,13?,14+/m0/s1
CH$LINK: CAS 10180-88-8
CH$LINK: CHEMSPIDER 89537 5140955
CH$LINK: INCHIKEY YMUOZXZDDBRJEP-GPSNSKMASA-N
CH$LINK: PUBCHEM CID:20105820

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+H]+

PK$SPLASH: splash10-03di-0090000000-51cb61688fe2b730d6c5
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  262.2 0.62 0
  262.3 2.04 2
  262.4 4.84 4
  262.5 8.79 8
  262.6 14.34 14
  262.7 24.16 24
  262.8 41.2 41
  262.9 64.34 64
  263.0 86.78 86
  263.1 100.0 99
  263.2 98.84 98
  263.3 83.35 83
  263.4 58.0 57
  263.5 30.55 30
  263.6 9.33 9
  263.7 0.23 0
//