MassBank Record: KO002089



 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: KO002089
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-1900000000-c92081162e58f54cd2ec PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 43.000 99010.0 1 46.000 29703.0 1 60.100 524753.0 7 60.500 19802.0 1 68.300 44554.5 1 70.000 17217839.0 241 71.000 3059409.0 43 73.900 1683170.0 24 80.200 69307.0 1 81.300 54455.5 1 83.100 79208.0 1 83.900 123762.5 2 84.700 34653.5 1 86.400 519802.5 7 87.200 747525.5 10 88.100 2158418.0 30 88.600 163366.5 2 91.900 9901.0 1 94.200 9901.0 1 96.300 44554.5 1 97.000 1143565.5 16 98.000 950496.0 13 98.900 237624.0 3 101.000 19802.0 1 102.000 247525.0 3 103.100 19802.0 1 105.100 242574.5 3 106.000 9901.0 1 111.000 1514853.0 21 112.100 9584168.0 134 113.400 44554.5 1 114.200 633664.0 9 115.300 71351556.5 999 116.200 23168340.0 324 117.100 247525.0 3 119.400 24752.5 1 122.200 217822.0 3 125.800 24752.5 1 130.300 702971.0 10 131.600 69307.0 1 133.100 2178220.0 30 139.100 4158420.0 58 140.100 485149.0 7 143.000 79208.0 1 146.400 163366.5 2 157.100 6123768.5 86 158.200 22519824.5 315 174.500 24752.5 1 175.200 3752479.0 53 //