ACCESSION: MSBNK-Keio_Univ-KO002146
RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:40 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 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
CH$LINK: COMPTOX DTXSID5024475

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00lr-9000000000-8b24020ad515f02ccc62
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41.100 410891.5 56
  42.200 54455.5 7
  42.900 59406.0 8
  55.900 123762.5 17
  57.300 103960.5 14
  65.100 811882.0 111
  67.000 6168323.0 842
  69.100 277228.0 38
  69.800 49505.0 7
  76.900 79208.0 11
  82.000 64356.5 9
  84.200 7321789.5 999
  94.900 99010.0 14
  102.700 19802.0 3
//