MassBank Record: KO000060



 N-alpha-Acetyl-L-ornithine; 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: KO000060
RECORD_TITLE: N-alpha-Acetyl-L-ornithine; 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 A032

CH$NAME: N-Acetylornithine CH$NAME: N2-Acetyl-L-ornithine CH$NAME: N-alpha-Acetyl-L-ornithine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14N2O3 CH$EXACT_MASS: 174.10044 CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI 16543 CH$LINK: KEGG C00437 CH$LINK: PUBCHEM SID:3726
AC$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$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-053r-9400000000-afb6a5b65f59f01dc761 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 41.300 118812.0 136 42.200 267327.0 307 53.900 108911.0 125 56.000 9901.0 11 58.400 871288.0 999 83.300 257426.0 295 85.000 29703.0 34 92.800 19802.0 23 113.100 44554.5 51 113.800 19802.0 23 125.000 29703.0 34 130.900 762377.0 874 //