MassBank Record: KO000491



 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: KO000491
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01b9-4900000000-6273e4c764e53645e523 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 55.300 94059.5 14 56.300 341584.5 52 56.900 113861.5 17 57.900 326733.0 50 59.200 118812.0 18 72.100 138614.0 21 74.000 3346538.0 507 85.500 103960.5 16 86.900 29703.0 5 93.000 108911.0 17 99.100 678218.5 103 100.000 846535.5 128 110.700 54455.5 8 112.900 143564.5 22 114.900 1856437.5 281 116.300 89109.0 14 118.100 6594066.0 999 118.600 524753.0 80 128.800 89109.0 14 131.200 118812.0 18 133.100 386139.0 59 142.400 19802.0 3 143.400 24752.5 4 156.900 64356.5 10 160.100 64356.5 10 175.500 945545.5 143 //