MassBank Record: KO000494



 Canavanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000494
RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C094

CH$NAME: Canavanine CH$NAME: L-Canavanine CH$NAME: 2-Amino-4-(guanidinooxy)butyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H12N4O3 CH$EXACT_MASS: 176.09094 CH$SMILES: NC(=N)NOCCC(N)C(O)=O CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C CH$LINK: PUBCHEM SID:3602
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0k96-9000000000-277b39712e9095e29987 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 41.300 163366.5 999 54.900 133663.5 817 56.200 89109.0 545 57.800 39604.0 242 58.900 24752.5 151 71.900 34653.5 212 //