ACCESSION: MSBNK-Keio_Univ-KO003265
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0a4i-2920000000-53c26bfad9ddc25b5646
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  52.800 9901.0 5
  59.800 29703.0 16
  61.000 34653.5 19
  68.200 94059.5 51
  68.900 84158.5 46
  71.900 49505.0 27
  84.000 143564.5 78
  84.900 133663.5 72
  96.300 19802.0 11
  97.200 24752.5 13
  98.000 29703.0 16
  101.700 34653.5 19
  102.300 44554.5 24
  105.400 29703.0 16
  109.300 24752.5 13
  110.200 34653.5 19
  115.400 69307.0 37
  117.300 14851.5 8
  132.000 34653.5 19
  133.900 79208.0 43
  143.600 29703.0 16
  145.500 19802.0 11
  157.400 14851.5 8
  159.100 1846536.5 999
  163.300 34653.5 19
  201.200 89109.0 48
  226.200 574258.0 311
//