MassBank Record: KO002488

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Bekanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$LINK: COMPTOX DTXSID8023185
CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N
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.
  72.0 64356.5 3.0
  73.1 292080.0 14.0
  80.0 2306930.0 114.0
  81.1 54455.5 3.0
  81.9 163366.0 8.0
  84.0 910892.0 45.0
  85.4 242574.0 12.0
  86.3 227723.0 11.0
  89.8 34653.5 2.0
  95.8 267327.0 13.0
  96.8 202970.0 10.0
  98.0 2242580.0 111.0
  98.9 84158.5 4.0
  101.8 59406.0 3.0
  103.2 945546.0 47.0
  108.2 153466.0 8.0
  108.9 386139.0 19.0
  114.0 5717830.0 282.0
  115.3 94059.5 5.0
  119.9 871288.0 43.0
  125.0 440594.0 22.0
  126.2 564357.0 28.0
  127.1 138614.0 7.0
  143.1 4574260.0 226.0
  144.2 2247530.0 111.0
  145.1 128713.0 6.0
  152.9 29703.0 1.0
  161.1 7831690.0 386.0
  162.0 7054460.0 348.0
  163.3 4455450.0 220.0
  164.1 84158.5 4.0
  187.0 79208.0 4.0
  194.5 19802.0 1.0
  202.0 24752.5 1.0
  202.8 24752.5 1.0
  205.3 2153470.0 106.0
  207.5 39604.0 2.0
  210.0 19802.0 1.0
  225.1 188119.0 9.0
  234.0 198020.0 10.0
  242.8 2.02525E7 999.0
  251.5 19802.0 1.0
  288.6 49505.0 2.0
  306.6 49505.0 2.0
  323.5 6772280.0 334.0
  324.8 1.82624E7 901.0
  325.6 519802.0 26.0
  347.4 69307.0 3.0
  347.8 29703.0 1.0
  349.3 9901.0 1.0
  365.2 420792.0 21.0
//