ReSpect |
ACCESSION
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dUDP; MS2; QqQ; positive; CE 30 V
2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PS069903 | |
RECORD_TITLE | dUDP; MS2; QqQ; positive; CE 30 V | |
DATE | 2009.2.9 | |
AUTHORS | Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN | |
COPYRIGHT | Copyright(C) 2008 Plant Science Center, RIKEN | |
COMMENTS | Build 5 | |
COMMENTS | Data acquisition and generation is financially supported in part by CREST/JST. | |
COMMENTS | Source compound Juna bio, NU-901. | |
COMMENTS | PRIMe compound in-house ID S0092 | |
COMMENTS | This spectra was automatically generated from the raw data without manual curation of data quality. | |
COMMENTS | The spectral data and services are available to the research and academic community only. | |
COMMENTS | All users must cite follwing literature in publication(s). | |
PUBLICATION | Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183 | |
STRUCTURE_FILE_NAME | N/A | |
CH$ NAME | dUDP | |
CH$ NAME | Deoxy-UDP | |
CH$ NAME | 2'-Deoxy-Uridine-5'-Diphosphate | |
CH$ COMPOUND_CLASS | CLASS1 | Other |
CH$ COMPOUND_CLASS | CLASS2 | Nucleotide |
CH$ COMPOUND_CLASS | CLASS3 | Uridine phosphate |
CH$ FORMULA | C9H14N2O11P2 | |
CH$ EXACT_MASS | 388.007 | |
CH$ LINK | CAS | 4208-67-7 |
CH$ LINK | KEGG |
C01346
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CH$ LINK | PUBCHEM |
CID 145729
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CH$ SMILES | C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O | |
CH$ INCHI | InChI=1/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1/f/h10,15-16,18H | |
CH$ IUPAC | [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | |
AC$ INSTRUMENT | TQD, Waters | |
AC$ INSTRUMENT_TYPE | N/A | |
AC$ ANALYTICAL_CONDITION | MS_TYPE | Flow-injection QqQ/MS |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | 30 |
AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | Q |
AC$ ANALYTICAL_CONDITION | DATAFORMAT | CENTROID |
AC$ ANALYTICAL_CONDITION | MODE | POSITIVE |
MS$ FOCUSED_ION | ION_TYPE | [M+H]+ |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 389.37 |
PK$ NUM_PEAK | 3 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
82
17533
261
105
67026
999
106
24471
364
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