MassBank Record: KO001831



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

ACCESSION: KO001831
RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 580 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014j-5190000000-87daef600d1a1a4b52d8 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 40.900 9901.0 37 85.900 19802.0 74 87.900 44554.5 167 96.900 267327.0 999 119.100 24752.5 93 124.000 24752.5 93 165.600 44554.5 167 202.500 69307.0 259 219.200 262376.5 981 244.400 34653.5 130 259.300 69307.0 259 261.100 123762.5 463 //