MassBank Record: KO000059



 N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000059
RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-2900000000-e708e107e9183bfe0f76 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 41.200 59406.0 4 42.300 133663.5 9 54.300 163366.5 11 58.300 2168319.0 152 59.200 19802.0 1 67.300 34653.5 2 83.000 1321783.5 92 85.500 1024753.5 72 93.200 69307.0 5 94.900 14851.5 1 100.000 287129.0 20 109.600 9901.0 1 111.000 79208.0 6 112.100 509901.5 36 113.400 173267.5 12 113.800 69307.0 5 125.000 94059.5 7 126.700 94059.5 7 128.900 544555.0 38 130.900 14292093.5 999 172.800 29703.0 2 //