MassBank Record: MSBNK-RIKEN_NPDepo-CB000336
ACCESSION: MSBNK-RIKEN_NPDepo-CB000336
RECORD_TITLE: Stictic acid; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Organic chemicals, Polycyclic compounds, Oxepins
CH$NAME: Stictic acid
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C19H14O9
CH$EXACT_MASS: 386.318
CH$SMILES: COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O
CH$IUPAC: InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3
CH$LINK: CAS
549-06-4
CH$LINK: CHEMSPIDER
66327
CH$LINK: INCHIKEY
SKCUFZLDTAYNBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20972053
CH$LINK: PUBCHEM
CID:73677
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0719100300-4a68754902c6c03c9e6b
PK$NUM_PEAK: 288
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//