ACCESSION: MSBNK-RIKEN_NPDepo-CB000338
RECORD_TITLE: Resistomycin; 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, Pyrenes

CH$NAME: Resistomycin
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₂₂H₁₆O₆
CH$EXACT_MASS: 376.3692
CH$SMILES: Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O
CH$IUPAC: InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3
CH$LINK: CAS 20004-62-0
CH$LINK: CHEMSPIDER 4445287
CH$LINK: INCHIKEY ABLACSIRCKEUOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4046101

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$SPLASH: splash10-004i-0009000000-7b000b36aa6ea63cc150
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
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//