| ReSpect |
ACCESSION
|
||||
![[Help]](/menta.cgi/static/respect/images/iconHelp.gif){kind=small} Help is displayed.
|
Adenosine 3'-monophosphate From Yeast; MS2; QqQ; positive; CE 20 V
2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PS116402 | |
| RECORD_TITLE | Adenosine 3'-monophosphate From Yeast; MS2; QqQ; positive; CE 20 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 SIGMA, A9272. | |
| COMMENTS | PRIMe compound in-house ID N0129 | |
| 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 | Adenosine 3'-monophosphate From Yeast | |
| CH$ NAME | 3'-AMP | |
| CH$ NAME | 3'-Adenylic acid | |
| CH$ NAME | Synadenylic acid | |
| CH$ NAME | 3'-Adenosine monophosphate | |
| CH$ NAME | AMP 3'-phosphate | |
| CH$ COMPOUND_CLASS | CLASS1 | Other |
| CH$ COMPOUND_CLASS | CLASS2 | Nucleotide |
| CH$ COMPOUND_CLASS | CLASS3 | Adenosine phosphate |
| CH$ FORMULA | C10H14N5O7P | |
| CH$ EXACT_MASS | 347.063 | |
| CH$ LINK | CAS | 84-21-9 |
| CH$ LINK | KEGG |
C01367
|
| CH$ LINK | PUBCHEM |
CID 41211
|
| CH$ SMILES | C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)OP(=O)(O)O)O | |
| CH$ INCHI | InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19H,11H2 | |
| CH$ IUPAC | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen 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 | 20 |
| 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 | 348.3 |
| PK$ NUM_PEAK | 4 | |
| PK$ PEAK |
m/z int. rel.int. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} m/z
Intensity
Relative intensity
135
49001
102
136
478678
999
347
35758
74
348
195969
408
|
