MassBank Record: KO000493



 Canavanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000493
RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9100000000-c152969360d44d895d0f PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 41.000 252475.5 728 43.100 19802.0 57 44.900 29703.0 86 55.400 193069.5 557 56.500 346535.0 999 57.100 99010.0 285 58.200 99010.0 285 59.000 89109.0 257 71.900 143564.5 414 74.100 133663.5 385 99.100 99010.0 285 99.400 29703.0 86 100.600 79208.0 228 115.900 34653.5 100 118.000 84158.5 243 //