ACCESSION: MSBNK-RIKEN_NPDepo-CB000227
RECORD_TITLE: Dihydrosamidin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Coumarins

CH$NAME: Dihydrosamidin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₂₁H₂₄O₇
CH$EXACT_MASS: 388.4212
CH$SMILES: CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
CH$IUPAC: InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3
CH$LINK: CAS 6005-18-1
CH$LINK: CHEMSPIDER 390650
CH$LINK: INCHIKEY ALKTVPFKDYZFGA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40943821
CH$LINK: PUBCHEM CID:2841560

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$SPLASH: splash10-004i-0079200000-0621a34f34243ab92d3b
PK$NUM_PEAK: 146
PK$PEAK: m/z int. rel.int.
  174.4000 120160.7656 21
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//