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MassBank Record: KO003264

Kanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++

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

ACCESSION: KO003264
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-004i-1390000000-12441176df85080d92e8
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  56.000 24752.5 6
  61.000 69307.0 18
  68.100 44554.5 12
  69.000 64356.5 17
  72.400 39604.0 10
  80.700 29703.0 8
  84.000 272277.5 71
  85.000 74257.5 19
  92.400 14851.5 4
  95.700 29703.0 8
  98.000 59406.0 16
  102.200 193069.5 50
  105.100 19802.0 5
  111.900 24752.5 6
  113.400 14851.5 4
  114.800 79208.0 21
  115.400 44554.5 12
  126.200 29703.0 8
  126.800 19802.0 5
  133.900 24752.5 6
  140.900 44554.5 12
  144.200 69307.0 18
  145.000 69307.0 18
  159.100 608911.5 159
  162.400 44554.5 12
  163.100 311881.5 81
  184.000 14851.5 4
  201.200 301980.5 79
  226.400 3826736.5 999
  243.200 118812.0 31
//

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