MassBank Record: KO000058



 N-alpha-Acetyl-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: KO000058
RECORD_TITLE: N-alpha-Acetyl-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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-d83ff24b1fd0244f8e2e PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 41.200 24752.5 1 58.200 628713.5 16 70.200 14851.5 1 78.600 14851.5 1 82.900 435644.0 11 85.100 2559408.5 64 92.700 29703.0 1 97.100 84158.5 2 99.800 123762.5 3 100.300 133663.5 3 111.200 267327.0 7 112.000 1242575.5 31 113.200 123762.5 3 114.500 24752.5 1 125.100 69307.0 2 127.200 168317.0 4 129.000 4688123.5 117 131.000 40183208.5 999 137.000 84158.5 2 154.800 44554.5 1 173.200 3688122.5 92 //