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MassBank Record: WA000400

Amikacin; LC-ESI-Q; MS; NEG; 75 V, 90 V

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

ACCESSION: WA000400
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; NEG; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Amikacin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H43N5O13
CH$EXACT_MASS: 585.28574
CH$SMILES: NCCC(O)C(=O)NC(C1)C(OC(O3)C(O)C(N)C(O)C(CO)3)C(O)C(OC(O2)C(O)C(O)C(O)C(CN)2)C(N)1
CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
CH$LINK: CAS 37517-28-5
CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N
CH$LINK: COMPTOX DTXSID3022586

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 1.730 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0020390000-8f119689e5eb060af8ab
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  109 12 12
  113 16 16
  117 43 43
  118 27 27
  160 8 8
  178 12 12
  208 16 16
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  225 16 16
  226 20 20
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  244 78 78
  245 8 8
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  261 8 8
  262 16 16
  270 43 43
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  286 16 16
  287 59 59
  288 8 8
  304 20 20
  387 20 20
  405 286 286
  406 59 59
  407 12 12
  423 78 78
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  584 999 999
  585 274 274
  586 59 59
  587 8 8
  620 8 8
  622 16 16
  630 51 51
  631 12 12
//

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