MassBank Record: KO002593



 Canavanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002593
RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:20 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 177 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-7900000000-e4399ab6ff268986734e PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 55.400 29703.0 2 55.900 168317.0 9 58.200 153465.5 8 60.100 59406.0 3 60.900 14851.5 1 62.900 29703.0 2 71.800 2881191.0 150 74.100 1801982.0 94 76.000 19188138.0 999 81.000 79208.0 4 83.300 24752.5 1 84.200 287129.0 15 86.300 29703.0 2 88.100 113861.5 6 89.000 153465.5 8 95.700 19802.0 1 98.800 29703.0 2 101.800 3673271.0 191 104.700 94059.5 5 113.100 34653.5 2 114.200 816832.5 43 116.200 123762.5 6 117.000 257426.0 13 118.000 10579218.5 551 120.200 1257427.0 65 130.800 504951.0 26 134.900 420792.5 22 141.500 24752.5 1 142.300 69307.0 4 149.400 39604.0 2 159.100 495050.0 26 160.100 7118819.0 371 177.300 4014855.5 209 //