MassBank MassBank Search Contents Download

MassBank Record: KO003633

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)

ACCESSION: KO003633
RECORD_TITLE: 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 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 20 V

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

PK$SPLASH: splash10-00di-9200000000-186f270471bdec40f804
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  35.100 108911.0 2
  40.800 44554.5 1
  45.300 24752.5 1
  62.500 29703.0 1
  68.800 79208.0 1
  70.000 57183225.5 999
  71.300 178218.0 3
  73.300 331683.5 6
  74.000 242574.5 4
  83.100 49505.0 1
  84.900 34653.5 1
  86.800 123762.5 2
  88.100 1039605.0 18
  96.900 227723.0 4
  98.300 237624.0 4
  115.400 1846536.5 32
  116.200 15901006.0 278
  132.900 336634.0 6
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze