MassBank Record: MSBNK-Keio_Univ-KO003060
ACCESSION: MSBNK-Keio_Univ-KO003060
RECORD_TITLE: Homoserine; 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 H003
CH$NAME: Homoserine
CH$NAME: 2-Amino-4-hydroxybutyric acid
CH$NAME: L-Homoserine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.05824
CH$SMILES: OCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
CH$LINK: CAS
672-15-1
CH$LINK: CHEBI
15699
CH$LINK: CHEMPDB HSE
CH$LINK: KEGG
C00263
CH$LINK: NIKKAJI
J9.199E
CH$LINK: PUBCHEM
SID:3561
CH$LINK: INCHIKEY
UKAUYVFTDYCKQA-VKHMYHEASA-N
CH$LINK: COMPTOX
DTXSID5075159
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 120
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9100000000-422851033dffe854f591
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
43.800 49505.0 29
56.200 316832.0 183
60.100 59406.0 34
61.200 84158.5 49
61.900 207921.0 120
74.000 1732675.0 999
84.100 54455.5 31
85.000 193069.5 111
88.100 297030.0 171
101.800 158416.0 91
102.900 153465.5 88
120.300 242574.5 140
//