MassBank Record: KO002773



 Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002773
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++
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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-01w1-9570000000-da64f1603c2c8b791414 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 57.900 14851.5 35 68.800 29703.0 71 70.300 39604.0 94 71.200 24752.5 59 73.800 103960.5 247 81.400 34653.5 82 83.300 34653.5 82 85.400 84158.5 200 86.000 292079.5 693 89.000 59406.0 141 91.900 44554.5 106 93.400 29703.0 71 95.300 39604.0 94 97.900 99010.0 235 100.400 24752.5 59 106.900 128713.0 306 109.300 24752.5 59 110.300 44554.5 106 111.500 34653.5 82 113.900 19802.0 47 116.200 14851.5 35 140.300 29703.0 71 150.400 24752.5 59 157.800 34653.5 82 163.100 44554.5 106 164.100 29703.0 71 176.500 103960.5 247 203.500 24752.5 59 221.400 138614.0 329 246.700 227723.0 541 263.400 420792.5 999 //