L-Isoleucine; MS2; QqQ; M+H; 16

2006.4.27 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM000925
RECORD_TITLE L-Isoleucine; MS2; QqQ; M+H; 16
DATE 2006.4.27
PUBLICATION Piraud M, Vianey-Saban C, Petritis K, Elfakir C, Steghens JP, Morla A, Bouchu D.;Rapid Communications in Mass Spectrometry;2003;17(12):1297-311.
PUBLICATION PUBMED 12811753 LinkIcon
AUTHORS Piraud M, et al.
COMMENTS N/A
COMMENTS 732
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME L-Isoleucine
CH$ COMPOUND_CLASS Amino acid
CH$ COMPOUND_CLASS Isoleucine
CH$ LINK CAS 73-32-5
CH$ FORMULA C6H13N1O2
CH$ EXACT_MASS 131.09
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT MeOH/H2O
AC$ ANALYTICAL_CONDITION MS_TYPE QqQ
AC$ ANALYTICAL_CONDITION MODEL API 2000
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 16
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE positive
SP$ SAMPLE authentic sample
MS$ FOCUSED_ION ION_TYPE M+H
MS$ FOCUSED_ION PRECURSOR_M/Z 132
PK$ NUM_PEAK 5
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
86
0
100
69
0
15
44
0
6
41
0
4
56
0
3

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