MassBank Record: MSBNK-Keio_Univ-KO003260
ACCESSION: MSBNK-Keio_Univ-KO003260
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 485
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03fr-0910000000-f9f1107bf4404954d22d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
124.500 19802.0 27
134.100 183168.5 248
143.300 34653.5 47
145.100 14851.5 20
159.000 99010.0 134
162.100 59406.0 80
163.300 737624.5 999
176.200 658416.5 892
205.400 168317.0 228
238.900 44554.5 60
324.400 9901.0 13
//