MassBank Record: KO009015

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Kanamycin; LC-ESI-IT; MS3; m/z: 485/324; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: COMPTOX DTXSID3023184
CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N
CH$LINK: KEGG C08046
CH$LINK: PUBCHEM 10246

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 2.0 1.0
  99.2 12.0 4.0
  102.0 36.41999816894531 14.0
  109.0 5.159999847412109 2.0
  110.1 12.5 5.0
  128.0 10.0 4.0
  134.1 17.079999923706055 6.0
  144.0 37.06999969482422 14.0
  145.1 153.39999389648438 57.0
  146.1 16.40999984741211 6.0
  148.0 5.170000076293945 2.0
  162.1 139.9199981689453 52.0
  163.1 2694.489990234375 999.0
  170.1 0.8299999833106995 1.0
  187.1 63.15999984741211 23.0
  204.1 1.6699999570846558 1.0
  205.1 320.1499938964844 119.0
  305.1 25.06999969482422 9.0
  306.0 3.6700000762939453 1.0
  307.0 1.5800000429153442 1.0
  324.2 139.75 52.0
  348.4 1.25 1.0
  516.7 2.0799999237060547 1.0
//