MassBank Record: KO002092



 N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002092
RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-44d1c5e14f69e175989a PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 41.000 69307.0 2 42.900 1821784.0 65 44.000 118812.0 4 44.400 34653.5 1 53.300 74257.5 3 55.200 123762.5 4 56.100 49505.0 2 60.200 153465.5 5 68.200 519802.5 19 69.200 59406.0 2 70.100 27891117.0 999 71.000 990100.0 35 74.000 475248.0 17 77.200 54455.5 2 78.700 29703.0 1 80.300 64356.5 2 85.800 24752.5 1 88.100 74257.5 3 97.100 227723.0 8 98.100 74257.5 3 98.400 9901.0 1 101.400 14851.5 1 114.700 24752.5 1 //