MassBank Record: KO002491



 Bekanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002491
RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-00lr-9300000000-fc9394c7ad835b8eaf3b PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 41.000 54455.5 18 43.000 44554.5 14 44.000 178218.0 58 44.900 69307.0 22 53.200 118812.0 38 54.200 94059.5 30 55.000 262376.5 85 56.200 767327.5 249 57.200 108911.0 35 57.900 138614.0 45 60.200 742575.0 241 61.200 99010.0 32 64.900 24752.5 8 67.200 44554.5 14 68.200 1856437.5 601 69.000 1128714.0 366 70.200 574258.0 186 71.100 316832.0 103 72.100 856436.5 277 72.900 262376.5 85 74.200 44554.5 14 77.900 108911.0 35 79.300 54455.5 18 80.000 2871290.0 930 80.900 207921.0 67 82.200 415842.0 135 83.200 737624.5 239 83.900 3084161.5 999 85.100 1039605.0 337 86.100 1183169.5 383 88.100 118812.0 38 92.100 128713.0 42 93.800 29703.0 10 96.000 1712873.0 555 97.000 1019803.0 330 98.000 970298.0 314 99.000 79208.0 26 100.400 69307.0 22 102.000 1445546.0 468 102.900 74257.5 24 105.300 19802.0 6 106.400 49505.0 16 108.200 282178.5 91 108.900 336634.0 109 110.200 707921.5 229 112.000 34653.5 11 112.600 34653.5 11 114.200 2524755.0 818 115.200 99010.0 32 125.900 133663.5 43 128.000 227723.0 74 141.100 29703.0 10 142.800 29703.0 10 143.300 44554.5 14 145.100 519802.5 168 146.100 178218.0 58 151.800 19802.0 6 152.400 49505.0 16 154.400 24752.5 8 161.000 59406.0 19 163.300 782179.0 253 169.900 19802.0 6 205.100 49505.0 16 //