MassBank Record: KO000298

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Azetidine-2-carboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000298
RECORD_TITLE: Azetidine-2-carboxylic acid; 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 A219

CH$NAME: Azetidine-2-carboxylate
CH$NAME: L-Azetidine 2-carboxylic acid
CH$NAME: Azetidyl-2-carboxylic acid
CH$NAME: (S)-(-)-Azetidine-2-carboxylic acid
CH$NAME: Azetidine-2-carboxylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7NO2
CH$EXACT_MASS: 101.0476799999999997226041159592568874359130859375
CH$SMILES: OC(=O)[C@H](C1)NC1
CH$IUPAC: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
CH$LINK: CAS 2133-34-8
CH$LINK: COMPTOX DTXSID0044020
CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N
CH$LINK: KEGG C08267
CH$LINK: NIKKAJI J35.234I
CH$LINK: PUBCHEM SID:10466

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 100
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00dj-9000000000-485b998308b043931000
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  70.900 158416.0 254
  72.200 485149.0 777
  99.900 623763.0 999
//