MassBank Record: KO002088



 N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002088
RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0900000000-52b9626c047fdc01fe7b PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 45.900 34653.5 1 69.900 252475.5 1 70.400 39604.0 1 73.800 99010.0 1 76.900 34653.5 1 77.800 183168.5 1 79.300 188119.0 1 83.100 306931.0 1 87.900 133663.5 1 92.900 69307.0 1 95.900 34653.5 1 97.100 84158.5 1 97.800 54455.5 1 98.800 39604.0 1 100.100 69307.0 1 101.400 14851.5 1 111.300 84158.5 1 112.100 787129.5 3 114.200 1287130.0 6 115.300 22618834.5 99 116.300 821783.0 4 117.200 19802.0 1 118.500 14851.5 1 121.200 64356.5 1 122.300 430693.5 2 124.800 44554.5 1 125.700 29703.0 1 128.800 118812.0 1 130.200 148515.0 1 133.000 435644.0 2 139.200 3153468.5 14 140.100 198020.0 1 143.100 648515.5 3 146.600 34653.5 1 157.200 41762418.0 183 158.200 10450505.5 46 175.100 228193297.5 999 //