ACCESSION: MSBNK-Keio_Univ-KO002415
RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
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 A239

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: KEGG C06820
CH$LINK: NIKKAJI J19.345C
CH$LINK: PUBCHEM SID:9038
CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N
CH$LINK: COMPTOX DTXSID3022586

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 586
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0012-0495310000-f8c1a135d374d2e20d9f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  118.200 19802.0 129
  163.000 39604.0 258
  185.000 39604.0 258
  186.000 19802.0 129
  264.000 24752.5 161
  283.100 153465.5 999
  299.500 79208.0 516
  324.300 69307.0 451
  348.000 79208.0 516
  408.100 14851.5 97
  425.500 74257.5 483
  485.200 19802.0 129
  586.400 44554.5 290
//