ACCESSION: MSBNK-Waters-WA000393
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-03g0-0841970000-f435608e549867458815
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  102 145 145
  103 8 8
  109 16 16
  110 20 20
  115 137 137
  126 20 20
  127 8 8
  128 16 16
  144 67 67
  145 74 74
  146 16 16
  162 82 82
  163 944 944
  164 67 67
  173 8 8
  187 24 24
  204 12 12
  205 67 67
  206 8 8
  229 8 8
  246 35 35
  247 141 141
  248 12 12
  264 466 466
  265 55 55
  266 8 8
  289 8 8
  294 31 31
  306 59 59
  307 8 8
  324 223 223
  325 31 31
  348 8 8
  366 24 24
  407 55 55
  408 16 16
  425 999 999
  426 188 188
  427 39 39
  431 8 8
  449 59 59
  450 12 12
  467 129 129
  468 31 31
  485 114 114
  486 24 24
  568 31 31
  569 12 12
  586 979 979
  587 247 247
  588 55 55
  589 8 8
  608 74 74
  609 16 16
  624 12 12
//