MassBank Record: KO002486



 Bekanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002486
RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 484 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0910000000-2bfce88a77fa8a877cc6 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 70.100 14851.5 2 71.800 24752.5 4 72.700 29703.0 4 73.800 14851.5 2 80.300 163366.5 23 84.200 133663.5 19 86.200 59406.0 8 87.800 34653.5 5 96.000 54455.5 8 97.100 59406.0 8 98.000 153465.5 22 100.200 24752.5 4 102.100 198020.0 28 102.400 54455.5 8 108.000 74257.5 11 114.100 836634.5 120 115.200 9901.0 1 120.300 64356.5 9 125.200 64356.5 9 126.300 74257.5 11 130.200 14851.5 2 132.200 59406.0 8 133.200 14851.5 2 143.100 316832.0 45 144.100 163366.5 23 145.300 158416.0 23 161.200 1381189.5 197 162.400 613862.0 88 163.300 6990106.0 999 169.000 19802.0 3 174.000 212871.5 30 175.300 207921.0 30 176.100 94059.5 13 185.500 34653.5 5 186.300 19802.0 3 187.300 663367.0 95 203.100 99010.0 14 205.200 1950497.0 279 215.900 29703.0 4 217.500 19802.0 3 233.200 19802.0 3 270.100 44554.5 6 324.800 84158.5 12 330.300 14851.5 2 351.600 54455.5 8 //