MassBank Record: KO000492



 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: KO000492
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-06di-9400000000-d5093b67a7ae4861da94 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 41.300 143564.5 124 55.000 267327.0 232 56.000 574258.0 497 56.900 207921.0 180 58.200 198020.0 172 59.200 123762.5 107 70.800 89109.0 77 71.900 297030.0 257 74.100 876238.5 759 85.100 103960.5 90 96.700 9901.0 9 99.000 272277.5 236 99.900 623763.0 540 113.500 49505.0 43 115.300 480198.5 416 116.000 237624.0 206 118.200 1153466.5 999 131.200 24752.5 21 131.500 19802.0 17 142.000 19802.0 17 143.100 49505.0 43 174.600 14851.5 13 //