ACCESSION: MSBNK-RIKEN_NPDepo-CB000330
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: 1-Hydroxy-2-methoxyanthraquinone
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₁₅H₁₀O₄
CH$EXACT_MASS: 254.2446
CH$SMILES: COc1ccc2c(c1O)C(=O)c1ccccc1C2=O
CH$IUPAC: InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3
CH$LINK: CAS 6003-11-8
CH$LINK: CHEMSPIDER 72353
CH$LINK: INCHIKEY BYQWRZGQEZAOPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30208759
CH$LINK: PUBCHEM CID:80103

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$SPLASH: splash10-0zfr-0890000000-60e2bb6a6f9373e0b872
PK$NUM_PEAK: 200
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//