MassBank Record: KO001533



 L-Ornithine; 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: KO001533
RECORD_TITLE: L-Ornithine; 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 O003

CH$NAME: L-Ornithine CH$NAME: (S)-2,5-Diaminopentanoic acid CH$NAME: (S)-2,5-Diaminovaleric acid CH$NAME: (S)-2,5-Diaminopentanoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H12N2O2 CH$EXACT_MASS: 132.08988 CH$SMILES: NCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 CH$LINK: CAS 70-26-8 CH$LINK: CHEBI 15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D CH$LINK: PUBCHEM SID:3377
AC$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$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-cdd9aac89a5a71814ff3 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 36.700 9901.0 1 45.400 24752.5 4 54.900 34653.5 5 58.800 44554.5 6 70.700 64356.5 9 83.100 262376.5 38 85.000 306931.0 44 87.400 39604.0 6 98.600 84158.5 12 101.000 54455.5 8 112.900 113861.5 16 114.200 74257.5 11 131.000 6975254.5 999 //