MassBank Record: KO002091



 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: KO002091
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-e57c224e36a05f66f1b9 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 40.600 39604.0 1 43.000 2420794.5 38 43.900 94059.5 1 53.300 64356.5 1 55.100 282178.5 4 57.200 84158.5 1 60.200 386139.0 6 68.200 371287.5 6 69.100 103960.5 2 70.000 63341647.5 999 71.000 4465351.0 70 72.200 64356.5 1 73.900 3118815.0 49 77.100 69307.0 1 79.300 49505.0 1 80.000 113861.5 2 81.100 99010.0 2 81.400 29703.0 1 86.000 59406.0 1 87.200 59406.0 1 88.200 638614.5 10 92.400 24752.5 1 97.100 1019803.0 16 98.000 787129.5 12 98.700 217822.0 3 102.100 29703.0 1 105.000 59406.0 1 105.900 34653.5 1 112.100 99010.0 2 115.300 603961.0 10 115.900 321782.5 5 118.300 24752.5 1 141.900 19802.0 1 145.400 59406.0 1 //