MassBank Record: NGA00540



 Austricin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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

CH$NAME: Austricin CH$COMPOUND_CLASS: Terpenoids CH$FORMULA: C15H18O4 CH$EXACT_MASS: 262.30831 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: PUBCHEM CID:89537 5140955 CH$LINK: INCHIKEY YMUOZXZDDBRJEP-GPSNSKMASA-N
AC$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 //