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ACCESSION
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4-Feruloylquinic acids; MS2; QqQ; M-H; 60eV
2009.10.29 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PM018626 | |
RECORD_TITLE | 4-Feruloylquinic acids; MS2; QqQ; M-H; 60eV | |
DATE | 2009.10.29 | |
PUBLICATION | Alonso-Salces RM, Guillou C, Berrueta LA. Rapid Commun Mass Spectrom. 2009 Feb;23(3):363-83. | |
PUBLICATION | PUBMED |
19127547
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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 | 4-Feruloylquinic acids | |
CH$ NAME | Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1.alpha.,3R,4.alpha.,5R)- | |
CH$ COMPOUND_CLASS | Phenylpropanoid | |
CH$ COMPOUND_CLASS | Phenylpropanoid ester | |
CH$ COMPOUND_CLASS | Quinic acid | |
CH$ LINK | CAS | 2613-86-7 |
CH$ FORMULA | C17H20N0O9 | |
CH$ EXACT_MASS | 368.11 | |
CH$ SMILES | N/A | |
CH$ INCHI | N/A | |
AC$ ANALYTICAL_CONDITION | SOLVENT | H2O/CH3OH/CH3COOH |
AC$ ANALYTICAL_CONDITION | MS_TYPE | QqQ |
AC$ ANALYTICAL_CONDITION | MODEL | Micromass Quattromicro |
AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | 60eV |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | MODE | negative |
SP$ SAMPLE | Green coffee beans of Coffea arabica (Arabica) and Coffea canephora (Robusta) | |
MS$ FOCUSED_ION | ION_TYPE | M-H |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 366.8 |
PK$ NUM_PEAK | 6 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
173
0
10
133.8
0
31
92.7
0
100
88.8
0
21
66.6
0
19
58.5
0
9
|