MassBank Record: KO002488



 Bekanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002488
RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++
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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-01vo-1956000000-a22b5ff6e141077fa493 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 72.000 64356.5 3 73.100 292079.5 14 80.000 2306933.0 114 81.100 54455.5 3 81.900 163366.5 8 84.000 910892.0 45 85.400 242574.5 12 86.300 227723.0 11 89.800 34653.5 2 95.800 267327.0 13 96.800 202970.5 10 98.000 2242576.5 111 98.900 84158.5 4 101.800 59406.0 3 103.200 945545.5 47 108.200 153465.5 8 108.900 386139.0 19 114.000 5717827.5 282 115.300 94059.5 5 119.900 871288.0 43 125.000 440594.5 22 126.200 564357.0 28 127.100 138614.0 7 143.100 4574262.0 226 144.200 2247527.0 111 145.100 128713.0 6 152.900 29703.0 1 161.100 7831691.0 386 162.000 7054462.5 348 163.300 4455450.0 220 164.100 84158.5 4 187.000 79208.0 4 194.500 19802.0 1 202.000 24752.5 1 202.800 24752.5 1 205.300 2153467.5 106 207.500 39604.0 2 210.000 19802.0 1 225.100 188119.0 9 234.000 198020.0 10 242.800 20252495.5 999 251.500 19802.0 1 288.600 49505.0 2 306.600 49505.0 2 323.500 6772284.0 334 324.800 18262394.5 901 325.600 519802.5 26 347.400 69307.0 3 347.800 29703.0 1 349.300 9901.0 1 365.200 420792.5 21 //