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 LinkIcon
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.
[-] 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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