ACCESSION: MSBNK-Keio_Univ-KO003639
RECORD_TITLE: D-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 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 30 V

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

PK$SPLASH: splash10-00di-9000000000-45d863665ba8a53004f0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  44.600 39604.0 6
  70.000 6143570.5 999
  73.900 79208.0 13
  78.700 9901.0 2
  88.100 232673.5 38
  116.200 89109.0 14
//