MassBank Record: MSBNK-Waters-WA000391
ACCESSION: MSBNK-Waters-WA000391
RECORD_TITLE: Amikacin; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0320290000-92dd0c6f555d494bcacf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
115 63 63
126 20 20
144 165 165
145 8 8
162 259 259
163 24 24
261 8 8
264 51 51
294 255 255
306 8 8
313 12 12
324 8 8
344 8 8
425 255 255
426 43 43
586 999 999
587 266 266
588 55 55
589 8 8
605 8 8
608 71 71
609 16 16
624 8 8
//