MassBank Record: MT000042



 Arginine; LC-ESI-IT; MS2; m/z: 175.2; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000042
RECORD_TITLE: Arginine; LC-ESI-IT; MS2; m/z: 175.2; [M+H]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Arginine CH$COMPOUND_CLASS: Natural Product; Amino acids CH$FORMULA: C6H14N4O2 CH$EXACT_MASS: 174.11168 CH$SMILES: NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) CH$LINK: CAS 1119-34-2 CH$LINK: HMDB HMDB03416 HMDB00517 CH$LINK: KEGG C00062 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 175.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-0a4i-1900000000-d7946b5cfa5533e57639 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 60.2 43.8 438 61.2 1.0 10 70.2 8.7 87 71.2 0.5 5 72.2 2.2 22 73.2 0.7 7 85.2 0.2 2 86.4 0.3 3 94.4 0.2 2 97.2 0.6 6 98.2 0.4 4 112.1 6.4 64 113.2 1.6 16 114.2 4.0 40 115.2 3.1 31 116.1 53.5 534 117.1 2.4 24 130.1 35.7 357 131.2 2.1 21 133.1 0.9 9 134.1 0.2 2 140.1 3.3 33 141.1 0.7 7 157.1 62.7 626 158.1 100.0 999 159.2 4.7 47 175.2 0.9 9 176.4 1.4 14 //