MassBank Record: KO002145



 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002145
RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A050

CH$NAME: 1-Amino-1-cyclopentanecarboxylate CH$NAME: 1-Aminocyclopentanecarboxylate CH$NAME: 1-Aminocyclopentanecarboxylic acid CH$NAME: 1-Amino-1-cyclopentanecarboxylic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C6H11NO2 CH$EXACT_MASS: 129.07898 CH$SMILES: OC(=O)C(N)(C1)CCC1 CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I CH$LINK: PUBCHEM SID:6689 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N
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 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-88d32a35b4754114c1d5 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 41.000 103960.5 3 42.300 59406.0 2 45.200 24752.5 1 55.300 24752.5 1 56.100 103960.5 3 57.200 178218.0 6 65.100 287129.0 9 67.100 7792087.0 251 69.000 118812.0 4 69.900 108911.0 4 84.200 31000031.0 999 85.200 59406.0 2 95.200 366337.0 12 102.700 19802.0 1 112.900 123762.5 4 130.000 188119.0 6 //