MassBank Record: KO002769



 Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002769
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D108

CH$NAME: Dihydrostreptomycine CH$NAME: Dihydrostreptomycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H41N7O12 CH$EXACT_MASS: 583.28132 CH$SMILES: NC(=N)NC(C(O)1)C(O)C(NC(N)=N)C(OC(O2)C(OC(O3)C(NC)C(O)C(O)C(CO)3)C(O)(CO)C(C)2)C(O)1 CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H CH$LINK: PUBCHEM SID:4268
AC$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$FOCUSED_ION: PRECURSOR_M/Z 584 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1290020000-c272561234831b3053da PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 90.100 128713.0 228 106.800 34653.5 61 118.000 74257.5 131 127.300 24752.5 44 150.100 34653.5 61 156.900 9901.0 18 162.300 49505.0 88 163.200 29703.0 53 176.600 34653.5 61 212.300 9901.0 18 218.100 64356.5 114 221.500 39604.0 70 225.900 14851.5 26 246.700 178218.0 315 263.600 564357.0 999 265.600 49505.0 88 278.200 14851.5 26 305.100 34653.5 61 322.000 14851.5 26 392.600 29703.0 53 584.600 207921.0 368 //