MassBank Record: KO002485



 Bekanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:4083
AC$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 //