ACCESSION: MSBNK-RIKEN_NPDepo-NGA02075
RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-03di-0926300000-387aaa2e6cb384123c13
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  161.4 2.67 2
  161.5 3.54 3
  161.6 5.41 5
  161.7 8.29 8
  161.8 11.08 11
  161.9 12.86 12
  162.0 14.12 14
  162.1 15.41 15
  162.2 15.66 15
  162.3 13.45 13
  162.5 8.65 8
  162.6 12.43 12
  162.7 21.82 21
  162.8 36.74 36
  162.9 57.01 56
  163.0 79.35 79
  163.1 96.16 96
  163.2 99.99 99
  163.3 88.39 88
  163.4 64.43 64
  163.5 35.4 35
  163.6 10.94 10
  163.7 0.52 0
  204.5 4.32 4
  204.6 5.29 5
  204.7 6.28 6
  204.8 9.21 9
  204.9 15.57 15
  205.0 23.39 23
  205.1 28.08 28
  205.2 27.04 27
  205.3 21.75 21
  205.4 15.05 15
  205.5 8.77 8
  205.6 3.91 3
  323.3 0.74 0
  323.4 2.27 2
  323.5 5.38 5
  323.6 10.04 10
  323.7 15.33 15
  323.8 21.37 21
  323.9 29.66 29
  324.0 40.16 40
  324.1 49.7 49
  324.2 54.77 54
  324.3 53.6 53
  324.4 45.0 44
  324.5 29.41 29
  324.6 12.03 12
  324.7 0.6 0
  347.9 2.56 2
  348.0 4.8 4
  348.1 7.02 7
  348.2 7.95 7
  348.3 6.95 6
  348.4 4.57 4
  348.5 2.05 2
  365.5 1.52 1
  365.6 2.94 2
  365.7 4.29 4
  365.8 4.85 4
  365.9 5.07 5
  366.0 6.45 6
  366.1 9.55 9
  366.2 12.43 12
  366.3 12.29 12
  366.4 8.56 8
  366.5 3.67 3
  484.4 1.23 1
  484.5 2.36 2
  484.6 5.25 5
  484.7 9.84 9
  484.8 14.6 14
  484.9 18.12 18
  485.0 21.01 20
  485.1 24.96 24
  485.2 30.76 30
  485.3 36.98 36
  485.4 39.43 39
  485.5 33.83 33
  485.6 21.02 20
  485.7 7.98 7
  485.8 1.17 1
//