MassBank Record: KO000095



 1-Aminocyclopropane-1-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) \n

ACCESSION: KO000095
RECORD_TITLE: 1-Aminocyclopropane-1-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 A047

CH$NAME: 1-Aminocyclopropane-1-carboxylate CH$NAME: 1-Aminocyclopropane-1-carboxylic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H7NO2 CH$EXACT_MASS: 101.04768 CH$SMILES: OC(=O)C(N)(C1)C1 CH$IUPAC: InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) CH$LINK: CAS 22059-21-8 CH$LINK: CHEBI 30526 CH$LINK: KEGG C01234 CH$LINK: NIKKAJI J83.133F CH$LINK: PUBCHEM SID:4455
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: splash10-0002-9000000000-bd4a1c4cd402aa288a76 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 54.000 39604.0 44 81.900 19802.0 22 99.900 891090.0 999 //