ACCESSION: MSBNK-Waters-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
  209 8 8
  225 16 16
  226 20 20
  228 12 12
  244 78 78
  245 8 8
  249 8 8
  251 12 12
  255 8 8
  261 8 8
  262 16 16
  270 43 43
  271 8 8
  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
  424 12 12
  584 999 999
  585 274 274
  586 59 59
  587 8 8
  620 8 8
  622 16 16
  630 51 51
  631 12 12
//