MassBank Record: MSBNK-Keio_Univ-KO003634
ACCESSION: MSBNK-Keio_Univ-KO003634
RECORD_TITLE: L-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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-ebbdf0ab6d3180cba1a5
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
38.700 24752.5 1
42.700 89109.0 2
44.800 44554.5 1
55.900 29703.0 1
68.000 262376.5 5
69.100 54455.5 1
70.000 55678273.5 999
71.200 158416.0 3
72.700 84158.5 2
74.000 128713.0 2
86.900 24752.5 1
88.100 396040.0 7
96.900 108911.0 2
97.900 74257.5 1
116.400 425743.0 8
//