MassBank Record: KO002775

Home Search Record Index Data Privacy Imprint

Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$LINK: COMPTOX DTXSID0022937
CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N
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.
  43.9 24752.5 357.0
  54.8 14851.5 214.0
  57.4 39604.0 571.0
  64.7 9901.0 143.0
  67.3 14851.5 214.0
  70.9 24752.5 357.0
  73.9 69307.0 999.0
  76.8 64356.5 928.0
  80.9 24752.5 357.0
  84.9 59406.0 856.0
  86.3 64356.5 928.0
  93.2 34653.5 500.0
  94.5 29703.0 428.0
  97.7 34653.5 500.0
  99.1 19802.0 285.0
  204.5 69307.0 999.0
//