MassBank Record: MSBNK-RIKEN_NPDepo-CB000273
ACCESSION: MSBNK-RIKEN_NPDepo-CB000273
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Glycosides, Aminoglycosides
CH$NAME: Dihydrostreptomycin
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C21H41N7O12
CH$EXACT_MASS: 583.6006
CH$SMILES: CNC1C(O)[C@@H](O)C(CO)O[C@H]1OC1[C@H](OC2C(O)[C@@H](O)C(NC(=N)N)C(O)[C@@H]2NC(=N)N)O[C@@H](C)C1(O)CO
CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6?,7?,8-,9?,10-,11?,12-,13?,14?,15?,16?,17-,18-,21?/m0/s1
CH$LINK: CAS
128-46-1
CH$LINK: CHEMSPIDER
23089228
CH$LINK: INCHIKEY
ASXBYYWOLISCLQ-PMUJNECLSA-N
CH$LINK: PUBCHEM
CID:6427042
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: splash10-01ox-0690100000-99629b01d6350bf4d4cf
PK$NUM_PEAK: 399
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//
system version 2.2.8-SNAPSHOT