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MassBank Record: MSBNK-Keio_Univ-KO003638

D-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: MSBNK-Keio_Univ-KO003638
RECORD_TITLE: D-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 O005

CH$NAME: D-Ornithine
CH$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-/m1/s1
CH$LINK: CAS 348-66-3
CH$LINK: CHEBI 16176
CH$LINK: KEGG C00515
CH$LINK: NIKKAJI J9.191J
CH$LINK: PUBCHEM SID:3798
CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N
CH$LINK: COMPTOX DTXSID30883368

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$SPLASH: splash10-00di-9300000000-0ce9f8eaa9b98ad18d91
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  46.000 29703.0 4
  55.300 44554.5 7
  60.100 24752.5 4
  70.200 6643571.0 999
  73.300 207921.0 31
  73.800 103960.5 16
  83.300 113861.5 17
  88.100 529703.5 80
  98.300 123762.5 19
  99.400 34653.5 5
  101.000 64356.5 10
  115.100 217822.0 33
  116.200 2460398.5 370
//

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