| ReSpect |
ACCESSION
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Procyanidin B2; MS2; Q-TOF; M-H; 15->55V
2011.4.27 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PM018032 | |
| RECORD_TITLE | Procyanidin B2; MS2; Q-TOF; M-H; 15->55V | |
| DATE | 2011.4.27 | |
| PUBLICATION | Matsuda F, Hirai MY, Sasaki E, Akiyama K, Yonekura-Sakakibara K, Provart NJ, Sakurai T, Shimada Y, Saito K; Plant Physiol;2010 152:566-578. | |
| PUBLICATION | PUBMED |
20023150
|
| AUTHORS | F. Matsuda and M. Suzuki. | |
| COMMENTS | Obtained from extract mixture | |
| COMMENTS | N/D | |
| COPYRIGHT | Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN | |
| STRUCTURE_FILE_NAME | N/A | |
| CH$ NAME | Procyanidin B2 | |
| CH$ NAME | (-)-Epicatechin-(4-beta-8)-(-)-epicatechin | |
| CH$ COMPOUND_CLASS | Tannin | |
| CH$ COMPOUND_CLASS | Proanthocyanidin | |
| CH$ LINK | CAS | 29106-49-8 |
| CH$ FORMULA | C30H26O12 | |
| CH$ EXACT_MASS | 578.1424263 | |
| CH$ SMILES | N/A | |
| CH$ INCHI | N/A | |
| AC$ ANALYTICAL_CONDITION | SOLVENT | H2O/CH3CN/HCOOH |
| AC$ ANALYTICAL_CONDITION | MS_TYPE | Q-TOF |
| AC$ ANALYTICAL_CONDITION | MODEL | QTOF Premier |
| AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | 15->55V |
| AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
| AC$ ANALYTICAL_CONDITION | MODE | negative |
| SP$ SAMPLE | Arabidopsis thaliana | |
| MS$ FOCUSED_ION | ION_TYPE | M-H |
| MS$ FOCUSED_ION | PRECURSOR_M/Z | 581.1906 |
| PK$ NUM_PEAK | 43 | |
| PK$ PEAK |
m/z int. rel.int. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} m/z
Intensity
Relative intensity
581.1906
0
19
580.1515
0
5
579.1278
0
19
578.1426
0
40
577.1338
0
100
576.1161
0
3
452.1093
0
4
451.1077
0
15
427.0775
0
3
426.0856
0
10
425.0871
0
41
419.1347
0
13
409.0828
0
5
408.0703
0
13
407.0768
0
60
371.1201
0
3
339.0785
0
5
331.0995
0
3
299.0449
0
3
290.0756
0
14
289.0737
0
69
288.0661
0
3
287.054
0
11
281.0488
0
9
273.0356
0
4
245.0836
0
14
245.0458
0
8
223.0614
0
19
208.0399
0
7
205.0443
0
6
203.0711
0
7
195.0662
0
7
188.0541
0
3
179.0328
0
4
175.0347
0
4
165.0528
0
7
165.0144
0
4
164.0528
0
8
162.0303
0
4
161.0211
0
14
151.0392
0
9
137.0229
0
14
125.0245
0
70
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