ACCESSION: MSBNK-Keio_Univ-KO009015
RECORD_TITLE: Kanamycin; LC-ESI-IT; MS3; m/z: 485/324; [M+H]+
DATE: 2012.10.22 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID K002
COMMENT: [MS2] KO009014

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$LINK: PUBCHEM 10246
CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N
CH$LINK: COMPTOX DTXSID3023184

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 485/324
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03di-0900000000-4f1befc5fa2486f3bb6d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  92.3 2.00 1
  99.2 12.00 4
  102.0 36.42 14
  109.0 5.16 2
  110.1 12.50 5
  128.0 10.00 4
  134.1 17.08 6
  144.0 37.07 14
  145.1 153.40 57
  146.1 16.41 6
  148.0 5.17 2
  162.1 139.92 52
  163.1 2694.49 999
  170.1 0.83 1
  187.1 63.16 23
  204.1 1.67 1
  205.1 320.15 119
  305.1 25.07 9
  306.0 3.67 1
  307.0 1.58 1
  324.2 139.75 52
  348.4 1.25 1
  516.7 2.08 1
//