MassBank Record: MSBNK-Keio_Univ-KO002415
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
//