ACCESSION: MSBNK-RIKEN_NPDepo-NGA02073
RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0000900000-002619f5820ca993ae9f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  162.7 1.9 1
  162.8 3.02 3
  162.9 4.26 4
  163.0 5.26 5
  163.1 5.45 5
  163.2 4.56 4
  163.3 2.98 2
  323.7 1.17 1
  323.8 2.37 2
  323.9 4.08 4
  324.0 5.99 5
  324.1 7.35 7
  324.2 7.33 7
  324.3 5.66 5
  324.4 3.17 3
  484.3 0.97 0
  484.4 2.8 2
  484.5 6.41 6
  484.6 11.79 11
  484.7 18.29 18
  484.8 26.26 26
  484.9 38.23 38
  485.0 56.11 56
  485.1 76.98 76
  485.2 93.89 93
  485.3 99.98 99
  485.4 90.8 90
  485.5 66.23 66
  485.6 34.06 34
  485.7 7.76 7
  485.8 0.01 0
//