ACCESSION: MSBNK-Keio_Univ-KO003263
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID K002

CH$NAME: Kanamycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆N₄O₁₁
CH$EXACT_MASS: 484.23806
CH$SMILES: NCC(O1)C(O)C(O)C(O)C1OC(C(N)3)C(O)C(C(N)C3)OC(O2)C(O)C(N)C(O)C(CO)2
CH$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$LINK: CAS 25389-94-0
CH$LINK: KEGG C08046
CH$LINK: NIKKAJI J203.663K
CH$LINK: PUBCHEM SID:10246
CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N
CH$LINK: COMPTOX DTXSID3023184

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++

PK$SPLASH: splash10-004i-0290000000-956766d3edbe42b87762
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  60.300 24752.5 5
  68.900 29703.0 6
  71.800 54455.5 10
  84.300 257426.0 48
  86.100 19802.0 4
  99.100 39604.0 7
  102.200 39604.0 7
  104.700 39604.0 7
  114.800 69307.0 13
  115.100 207921.0 39
  124.500 24752.5 5
  141.100 29703.0 6
  144.200 217822.0 40
  159.000 99010.0 18
  162.000 297030.0 55
  163.300 861387.0 160
  181.400 9901.0 2
  183.200 54455.5 10
  187.000 34653.5 6
  201.300 113861.5 21
  205.400 118812.0 22
  226.200 5391094.5 999
  243.200 2207923.0 409
  324.800 39604.0 7
//