MassBank Record: KO001829



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

ACCESSION: KO001829
RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S031

CH$NAME: Streptomycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H39N7O12 CH$EXACT_MASS: 581.26567 CH$SMILES: NC(=N)NC(C(O)1)C(O)C(NC(N)=N)C(OC(O2)C(OC(O3)C(NC)C(O)C(O)C(CO)3)C(O)(C=O)C(C)2)C(O)1 CH$IUPAC: InChI=1S/C21H39N7O12/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/h4-18,26,29,31-36H,3H2,1-2H3,(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$LINK: CAS 57-92-1 CH$LINK: CHEBI 17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D CH$LINK: PUBCHEM SID:3703
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 580 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0090000000-34b8374e2a80e4cb95ec PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 96.800 89109.0 64 110.700 9901.0 7 129.800 29703.0 21 151.600 49505.0 36 153.100 19802.0 14 165.300 14851.5 11 195.100 29703.0 21 219.100 128713.0 92 233.200 59406.0 43 244.000 44554.5 32 250.500 19802.0 14 259.200 108911.0 78 261.200 1391090.5 999 280.500 24752.5 18 318.200 49505.0 36 //