MassBank Record: MSBNK-Waters-WA000392
ACCESSION: MSBNK-Waters-WA000392
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0520292000-3af1bb6da6fd1bb156b1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
102 8 8
104 31 31
115 184 184
120 8 8
126 16 16
132 8 8
144 141 141
145 16 16
150 8 8
162 114 114
163 219 219
164 16 16
172 24 24
205 20 20
246 12 12
247 16 16
264 219 219
265 27 27
294 12 12
306 39 39
307 8 8
324 27 27
407 8 8
425 215 215
426 43 43
427 8 8
467 20 20
485 39 39
486 8 8
568 8 8
586 999 999
587 262 262
588 63 63
589 8 8
608 219 219
609 55 55
610 12 12
624 16 16
//