ACCESSION: MSBNK-Keio_Univ-KO002485
RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B028

CH$NAME: Bekanamycin
CH$NAME: Kanamycin B
CH$NAME: Nebramycin factor 5
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₇N₅O₁₀
CH$EXACT_MASS: 483.25404
CH$SMILES: NCC(O1)C(O)C(O)C(N)C1OC(C(N)3)C(O)C(C(N)C3)OC([H])(O2)C(O)C(N)C(O)C(CO)2
CH$IUPAC: InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
CH$LINK: CAS 4696-76-8
CH$LINK: CHEBI 28098
CH$LINK: KEGG C00825
CH$LINK: NIKKAJI J8.763G
CH$LINK: PUBCHEM SID:4083
CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N
CH$LINK: COMPTOX DTXSID8023185

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$FOCUSED_ION: PRECURSOR_M/Z 484
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0931000000-455144dffc91d23deb87
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  80.000 34653.5 4
  84.000 39604.0 4
  84.800 9901.0 1
  97.200 39604.0 4
  101.400 29703.0 3
  102.400 29703.0 3
  114.000 262376.5 29
  120.400 64356.5 7
  124.700 49505.0 5
  132.300 74257.5 8
  142.800 128713.0 14
  143.300 84158.5 9
  144.900 49505.0 5
  161.100 2108913.0 230
  162.000 475248.0 52
  163.200 9143573.5 999
  164.500 14851.5 2
  170.100 24752.5 3
  174.200 89109.0 10
  175.200 94059.5 10
  185.900 79208.0 9
  187.200 183168.5 20
  203.400 128713.0 14
  205.500 4069311.0 445
  208.400 19802.0 2
  233.200 133663.5 15
  234.200 227723.0 25
  235.000 143564.5 16
  252.400 44554.5 5
  255.000 9901.0 1
  270.400 29703.0 3
  288.200 29703.0 3
  305.200 14851.5 2
  323.500 183168.5 20
  324.600 2198022.0 240
  334.100 34653.5 4
  348.400 49505.0 5
  351.400 138614.0 15
  365.500 237624.0 26
  449.300 19802.0 2
  484.400 262376.5 29
  506.500 39604.0 4
//