MassBank Record: KO002774



 Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002774
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-0fki-9340000000-915a5b4c2e2c08346763 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 44.400 19802.0 111 57.200 19802.0 111 69.300 34653.5 194 69.800 69307.0 389 71.200 49505.0 278 73.700 94059.5 527 81.000 34653.5 194 85.100 84158.5 472 86.000 163366.5 916 92.000 64356.5 361 94.400 39604.0 222 95.200 34653.5 194 97.200 19802.0 111 97.800 49505.0 278 100.200 44554.5 250 106.800 94059.5 527 107.800 19802.0 111 109.200 39604.0 222 110.000 34653.5 194 122.000 24752.5 139 123.100 24752.5 139 144.100 24752.5 139 162.900 14851.5 83 204.100 178218.0 999 221.300 108911.0 611 246.500 108911.0 611 //