MassBank Record: KO002594



 Canavanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002594
RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 177 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00b9-9100000000-e6d11248bff03dbe3f4e PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 44.200 103960.5 7 56.300 1712873.0 116 58.200 1178219.0 79 59.300 222772.5 15 60.300 59406.0 4 71.500 252475.5 17 71.900 5905946.5 398 74.000 4321786.5 291 76.000 14811896.0 999 84.400 698020.5 47 85.000 133663.5 9 87.900 39604.0 3 89.000 138614.0 9 90.300 24752.5 2 90.600 9901.0 1 100.200 34653.5 2 101.900 2118814.0 143 113.800 39604.0 3 114.400 79208.0 5 116.100 34653.5 2 116.300 19802.0 1 118.200 1594061.0 108 120.300 292079.5 20 132.300 19802.0 1 160.300 118812.0 8 177.300 19802.0 1 //