ACCESSION: MSBNK-Keio_Univ-KO003257
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 485
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0401900000-bfec39d73f91e9349e77
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  176.000 1049506.0 489
  177.200 29703.0 14
  230.900 14851.5 7
  255.000 64356.5 30
  256.300 59406.0 28
  257.500 29703.0 14
  302.600 14851.5 7
  354.600 24752.5 12
  362.500 178218.0 83
  370.400 34653.5 16
  387.600 54455.5 25
  468.600 34653.5 16
  485.500 2143566.5 999
//