MassBank Record: KO002770



 Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002770
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 584 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03ka-1190000000-4c31681402bf294549fd PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 73.600 19802.0 93 90.000 69307.0 325 127.700 34653.5 163 176.300 69307.0 325 218.300 54455.5 256 221.500 113861.5 534 246.400 123762.5 581 263.400 212871.5 999 466.900 14851.5 70 //