MassBank Record: KO009014



 Kanamycin; LC-ESI-IT; MS2; m/z: 485; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009014
RECORD_TITLE: Kanamycin; LC-ESI-IT; MS2; m/z: 485; [M+H]+
DATE: 2012.10.22 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID K002

CH$NAME: Kanamycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H36N4O11 CH$EXACT_MASS: 484.23806 CH$SMILES: NCC(O1)C(O)C(O)C(O)C1OC(C(N)3)C(O)C(C(N)C3)OC(O2)C(O)C(N)C(O)C(CO)2 CH$IUPAC: InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 CH$LINK: CAS 25389-94-0 CH$LINK: KEGG C08046 CH$LINK: PUBCHEM 10246 CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 485 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0229-0619100000-8c3afa40180e7b17e8ff PK$ANNOTATION: m/z struct. num formula mass 450.1 0 1 C18H32N3O10 450.20877 432.1 0 1 C18H30N3O9 432.1982 366.2 0 1 C14H28N3O8 366.18764 348.2 0 1 C14H26N3O7 348.17708 324.2 0 1 C12H26N3O7 324.17708 205.1 1 1 C8H17N2O4 205.11883 187.1 1 1 C8H15N2O3 187.10827 163.1 1 1 C6H15N2O3 163.10827 145.1 0 1 C6H13N2O2 145.0977 PK$NUM_PEAK: 159 PK$PEAK: m/z int. rel.int. 89.2 10.29 1 133.1 9.89 1 134.1 583.92 3 139.0 42.21 1 139.9 24.26 1 144.1 2454.94 14 145.1 7442.57 43 146.1 911.49 5 150.0 179.28 1 151.0 2102.85 12 152.1 314.79 2 154.1 10.14 1 158.2 90.19 1 161.1 90.78 1 162.1 11619.54 67 163.1 131856.01 764 164.0 135.13 1 165.1 17.12 1 166.9 17.95 1 168.0 60.84 1 169.1 2504.40 15 170.0 70.81 1 171.1 6.91 1 173.1 486.15 3 174.1 23.35 1 175.1 30.61 1 176.0 26.63 1 180.1 615.19 4 181.1 104.93 1 184.0 45.21 1 185.0 119.99 1 186.0 1024.52 6 187.1 12879.45 75 188.0 54.69 1 190.1 80.37 1 191.1 8.69 1 192.1 28.37 1 199.2 70.78 1 200.1 86.70 1 201.9 24.72 1 203.1 127.38 1 204.1 3360.48 19 205.1 30205.86 175 206.0 390.93 2 209.0 33.29 1 210.2 301.25 2 211.1 68.58 1 212.0 16.66 1 213.0 17.26 1 215.9 46.92 1 217.2 125.99 1 219.0 31.81 1 221.2 56.01 1 222.1 1485.39 9 228.1 237.31 1 229.1 202.83 1 230.2 9.43 1 233.0 15.80 1 234.1 31.54 1 240.1 127.92 1 241.2 209.28 1 242.2 47.26 1 242.9 55.61 1 244.1 13.43 1 245.9 15.32 1 251.1 409.84 2 252.1 638.77 4 253.2 563.85 3 254.2 108.48 1 258.1 55.35 1 259.3 58.18 1 262.1 293.41 2 263.1 1369.51 8 264.1 1148.36 7 267.0 52.80 1 269.2 341.02 2 270.1 827.87 5 271.1 3183.29 18 273.1 12.34 1 276.1 17.72 1 277.3 74.55 1 279.0 57.63 1 281.1 175.28 1 284.2 35.03 1 285.0 21.12 1 287.1 963.98 6 288.0 223.26 1 289.2 943.89 5 294.1 360.33 2 295.1 135.78 1 304.4 97.12 1 305.1 3514.20 20 306.1 623.93 4 307.2 568.97 3 308.1 67.64 1 312.2 855.05 5 313.1 237.06 1 314.2 26.86 1 318.2 15.23 1 321.0 17.40 1 323.2 9821.10 57 324.2 172344.20 999 325.2 549.04 3 327.2 139.77 1 328.4 70.58 1 330.2 1865.46 11 331.5 54.15 1 335.2 47.26 1 336.3 36.00 1 337.2 22.09 1 347.4 307.65 2 348.2 21168.55 123 350.1 127.80 1 352.0 29.66 1 360.2 51.52 1 365.3 1286.49 7 366.2 20906.68 121 367.2 76.78 1 368.2 112.81 1 369.8 7.03 1 372.1 177.85 1 378.1 110.74 1 379.0 75.66 1 389.9 65.78 1 391.2 18.97 1 396.0 203.77 1 397.0 62.03 1 401.1 148.40 1 402.0 1164.39 7 404.0 209.69 1 405.1 77.29 1 408.2 143.13 1 409.2 283.01 2 410.2 944.99 5 412.7 327.45 2 414.1 873.22 5 424.2 23.43 1 431.2 495.45 3 432.1 8601.35 50 436.0 32.38 1 440.2 8.14 1 441.0 99.79 1 449.2 221.63 1 450.1 10014.50 58 451.0 40.20 1 452.0 144.44 1 453.1 47.95 1 455.6 78.84 1 457.1 44.06 1 466.8 910.34 5 468.0 4028.10 23 468.9 112.29 1 469.6 89.33 1 476.6 36.17 1 482.2 59.87 1 484.1 21.95 1 485.1 581.14 3 508.2 21.89 1 513.2 49.18 1 //