ACCESSION: MSBNK-RIKEN_NPDepo-NGA02076
RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-03di-0920000000-f1bcbe15232c33a0e9e2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  161.5 2.45 2
  161.6 4.06 4
  161.7 7.16 7
  161.8 12.12 12
  161.9 17.86 17
  162.0 22.45 22
  162.1 24.8 24
  162.2 24.8 24
  162.3 22.38 22
  162.6 16.82 16
  162.7 25.73 25
  162.8 41.23 41
  162.9 60.29 60
  163.0 78.75 78
  163.1 92.89 92
  163.2 99.99 99
  163.3 96.6 96
  163.4 78.99 78
  163.5 49.24 49
  163.6 18.61 18
  163.7 0.48 0
  186.4 0.8 0
  186.5 2.06 2
  186.6 3.8 3
  186.7 5.62 5
  186.8 7.2 7
  186.9 8.52 8
  187.0 9.51 9
  187.1 9.77 9
  187.2 8.68 8
  187.3 6.14 6
  187.4 3.04 3
  204.6 2.25 2
  204.7 4.64 4
  204.8 9.68 9
  204.9 17.25 17
  205.0 25.45 25
  205.1 31.56 31
  205.2 33.57 33
  205.3 30.5 30
  205.4 22.48 22
  205.5 11.95 11
  205.6 3.27 3
//