MassBank Record: MSBNK-Keio_Univ-KO003264
ACCESSION: MSBNK-Keio_Univ-KO003264
RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++
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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-004i-1390000000-12441176df85080d92e8
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
56.000 24752.5 6
61.000 69307.0 18
68.100 44554.5 12
69.000 64356.5 17
72.400 39604.0 10
80.700 29703.0 8
84.000 272277.5 71
85.000 74257.5 19
92.400 14851.5 4
95.700 29703.0 8
98.000 59406.0 16
102.200 193069.5 50
105.100 19802.0 5
111.900 24752.5 6
113.400 14851.5 4
114.800 79208.0 21
115.400 44554.5 12
126.200 29703.0 8
126.800 19802.0 5
133.900 24752.5 6
140.900 44554.5 12
144.200 69307.0 18
145.000 69307.0 18
159.100 608911.5 159
162.400 44554.5 12
163.100 311881.5 81
184.000 14851.5 4
201.200 301980.5 79
226.400 3826736.5 999
243.200 118812.0 31
//