ACCESSION: MSBNK-Keio_Univ-KO003258
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
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$FOCUSED_ION: PRECURSOR_M/Z 485
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-0912300000-b2d253a1047f021ebd0a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  162.900 138614.0 108
  176.200 1287130.0 999
  177.800 19802.0 15
  231.200 44554.5 35
  239.000 14851.5 12
  255.500 123762.5 96
  256.500 94059.5 73
  324.700 247525.0 192
  348.500 39604.0 31
  360.900 19802.0 15
  362.200 54455.5 42
  366.300 39604.0 31
  485.600 539604.5 419
//