MassBank Record: MSBNK-Waters-WA000393
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
//