ACCESSION: WA000395
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; POS; 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 POSITIVE
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$SPLASH: splash10-03di-0930111000-df8a635e853a5eba7d8d
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  102 325 325
  103 12 12
  108 8 8
  109 20 20
  110 71 71
  111 12 12
  115 39 39
  126 16 16
  128 39 39
  144 55 55
  145 157 157
  146 35 35
  162 67 67
  163 999 999
  164 94 94
  165 12 12
  173 39 39
  186 12 12
  187 47 47
  204 24 24
  205 78 78
  206 8 8
  229 16 16
  246 47 47
  247 243 243
  248 27 27
  264 196 196
  265 24 24
  286 8 8
  288 12 12
  289 12 12
  294 20 20
  306 31 31
  324 47 47
  325 8 8
  366 8 8
  407 20 20
  408 8 8
  425 180 180
  426 35 35
  427 8 8
  447 39 39
  449 16 16
  467 24 24
  485 31 31
  568 8 8
  586 329 329
  587 86 86
  588 20 20
  608 262 262
  609 71 71
  610 16 16
  624 12 12
//