MassBank Record: KO002490



 Bekanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002490
RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 242.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-03e9-7900000000-b1062a243a4a4c599e04 PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 30.700 29703.0 4 43.900 84158.5 10 44.800 44554.5 5 55.300 128713.0 15 55.900 430693.5 51 58.300 99010.0 12 60.100 658416.5 78 67.200 34653.5 4 68.000 1138615.0 135 69.000 747525.5 89 69.800 544555.0 65 71.200 306931.0 36 71.800 1247526.0 148 73.100 371287.5 44 73.800 34653.5 4 77.800 74257.5 9 80.200 3757429.5 446 81.100 163366.5 19 82.100 544555.0 65 83.100 524753.0 62 84.200 3811885.0 453 85.100 762377.0 91 86.200 1306932.0 155 88.000 143564.5 17 89.900 74257.5 9 91.900 64356.5 8 95.100 49505.0 6 96.100 2009903.0 239 97.000 1594061.0 189 97.900 1881190.0 223 98.900 103960.5 12 100.200 133663.5 16 102.100 2876240.5 342 103.000 183168.5 22 106.400 39604.0 5 107.300 99010.0 12 108.000 633664.0 75 108.900 381188.5 45 110.400 519802.5 62 111.100 49505.0 6 114.200 8410899.5 999 114.700 282178.5 34 116.100 34653.5 4 119.900 108911.0 13 123.900 49505.0 6 125.000 252475.5 30 126.200 509901.5 61 127.200 178218.0 21 128.000 207921.0 25 132.000 69307.0 8 138.900 9901.0 1 142.300 34653.5 4 143.200 445545.0 53 144.300 480198.5 57 145.300 1074258.5 128 146.100 272277.5 32 150.500 24752.5 3 152.400 44554.5 5 161.300 965347.5 115 162.300 420792.5 50 163.100 5995055.5 712 164.300 59406.0 7 169.100 163366.5 19 170.300 44554.5 5 173.300 99010.0 12 174.900 19802.0 2 187.200 628713.5 75 188.100 49505.0 6 205.300 613862.0 73 //