MassBank Record: MSBNK-Waters-WA000394
ACCESSION: MSBNK-Waters-WA000394
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0941231000-8531a78286eea17096a7
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
102 168 168
103 8 8
109 12 12
110 35 35
115 27 27
126 8 8
128 20 20
144 35 35
145 74 74
146 20 20
162 90 90
163 999 999
164 82 82
165 12 12
173 24 24
186 8 8
187 27 27
204 27 27
205 71 71
206 8 8
229 8 8
246 39 39
247 165 165
248 16 16
264 423 423
265 51 51
266 8 8
270 8 8
288 8 8
289 8 8
294 20 20
306 59 59
307 8 8
324 98 98
325 12 12
348 8 8
366 12 12
407 39 39
408 12 12
425 251 251
426 43 43
427 8 8
431 8 8
447 8 8
449 35 35
450 8 8
467 35 35
468 8 8
485 24 24
568 12 12
586 423 423
587 118 118
588 24 24
608 219 219
609 55 55
610 12 12
624 12 12
//