MassBank Record: MSBNK-RIKEN_NPDepo-CB000274
ACCESSION: MSBNK-RIKEN_NPDepo-CB000274
RECORD_TITLE: Kanamycin; 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$NAME: Kanamycin
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C18H36N4O11
CH$EXACT_MASS: 484.5078
CH$SMILES: NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
CH$IUPAC: InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m1/s1
CH$LINK: CAS
8063-07-8
CH$LINK: CHEMSPIDER
5810
CH$LINK: INCHIKEY
SBUJHOSQTJFQJX-HZKXJDKASA-N
CH$LINK: PUBCHEM
CID:16397788
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: splash10-03di-0942000000-6de6702236244bbc69e0
PK$NUM_PEAK: 317
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