MassBank Record: MSBNK-Keio_Univ-KO003637
ACCESSION: MSBNK-Keio_Univ-KO003637
RECORD_TITLE: D-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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-3900000000-1b22374231fec22d1e20
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
34.900 79208.0 10
50.100 272277.5 33
51.200 158416.0 19
54.900 138614.0 17
58.600 24752.5 3
64.900 24752.5 3
68.700 79208.0 10
69.900 495050.0 60
71.800 29703.0 4
73.100 460396.5 56
74.000 64356.5 8
78.100 54455.5 7
79.100 222772.5 27
83.100 4574262.0 558
86.900 34653.5 4
87.800 123762.5 15
89.200 9901.0 1
97.800 89109.0 11
98.900 39604.0 5
99.600 39604.0 5
100.900 500000.5 61
115.300 2019804.0 246
116.200 8193077.5 999
133.100 6321788.5 771
//
system version 2.2.6-SNAPSHOT