MassBank Record: MSBNK-RIKEN_NPDepo-CB000270
ACCESSION: MSBNK-RIKEN_NPDepo-CB000270
RECORD_TITLE: Salazinic acid; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Carboxylic acids
CH$NAME: Salazinic acid
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C18H12O10
CH$EXACT_MASS: 388.2903
CH$SMILES: Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)C(O)OC3=O
CH$IUPAC: InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3
CH$LINK: CAS
521-39-1
CH$LINK: CHEMSPIDER
4478508
CH$LINK: INCHIKEY
QQTKVXCQLZIJPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5320418
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: splash10-0006-0709100500-6f8a0bd444993e91fa2d
PK$NUM_PEAK: 414
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//
