MassBank Record: KO001828



 Streptomycin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001828
RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 580 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0091010000-39300aec20bda5d23649 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 152.200 103960.5 69 259.000 69307.0 46 261.200 1514853.0 999 300.700 14851.5 10 318.200 69307.0 46 354.700 14851.5 10 357.500 9901.0 7 381.300 79208.0 52 401.200 34653.5 23 412.200 39604.0 26 580.500 212871.5 140 //