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MassBank Record: KO003632

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)

ACCESSION: KO003632
RECORD_TITLE: 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 O003

CH$NAME: L-Ornithine
CH$NAME: (S)-2,5-Diaminovaleric acid
CH$NAME: (S)-2,5-Diaminopentanoic acid
CH$NAME: (S)-2,5-Diaminopentanoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12N2O2
CH$EXACT_MASS: 132.08988
CH$SMILES: NCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
CH$LINK: CAS 70-26-8
CH$LINK: CHEBI 15729
CH$LINK: CHEMPDB ORN
CH$LINK: KEGG C00077
CH$LINK: NIKKAJI J9.177D
CH$LINK: PUBCHEM SID:3377
CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID00883219

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$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0159-0900000000-93ce7b142d1f82f17e95
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  21.600 34653.5 1
  35.100 792080.0 14
  35.800 84158.5 1
  40.900 64356.5 1
  50.000 282178.5 5
  50.900 183168.5 3
  55.400 24752.5 1
  57.200 14851.5 1
  68.800 24752.5 1
  70.100 4579212.5 81
  72.900 648515.5 12
  73.900 198020.0 4
  78.300 29703.0 1
  79.100 311881.5 6
  83.200 1821784.0 32
  84.300 24752.5 1
  87.000 79208.0 1
  88.200 272277.5 5
  89.700 14851.5 1
  96.900 163366.5 3
  98.200 99010.0 2
  101.100 356436.0 6
  115.300 17702988.0 315
  116.200 46910938.0 835
  133.000 56143620.5 999
//

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