MassBank Record: MSBNK-Keio_Univ-KO003261
ACCESSION: MSBNK-Keio_Univ-KO003261
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID K002
CH$NAME: Kanamycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36N4O11
CH$EXACT_MASS: 484.23806
CH$SMILES: NCC(O1)C(O)C(O)C(O)C1OC(C(N)3)C(O)C(C(N)C3)OC(O2)C(O)C(N)C(O)C(CO)2
CH$IUPAC: InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
CH$LINK: CAS
25389-94-0
CH$LINK: KEGG
C08046
CH$LINK: NIKKAJI
J203.663K
CH$LINK: PUBCHEM
SID:10246
CH$LINK: INCHIKEY
SBUJHOSQTJFQJX-NOAMYHISSA-N
CH$LINK: COMPTOX
DTXSID3023184
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 485
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01si-0900000000-fc564265f1df46eef081
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
62.800 24752.5 106
84.000 24752.5 106
102.100 79208.0 340
106.000 9901.0 43
134.000 232673.5 999
134.500 14851.5 64
145.200 34653.5 149
159.100 79208.0 340
162.900 64356.5 276
163.400 143564.5 616
176.300 222772.5 956
181.100 49505.0 213
187.200 54455.5 234
255.400 44554.5 191
//