MassBank Record: KO002775



 Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002775
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-0fgx-9010000000-0d0be639d3cdcb114f75 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 43.900 24752.5 357 54.800 14851.5 214 57.400 39604.0 571 64.700 9901.0 143 67.300 14851.5 214 70.900 24752.5 357 73.900 69307.0 999 76.800 64356.5 928 80.900 24752.5 357 84.900 59406.0 856 86.300 64356.5 928 93.200 34653.5 500 94.500 29703.0 428 97.700 34653.5 500 99.100 19802.0 285 204.500 69307.0 999 //