ACCESSION: MSBNK-Keio_Univ-KO002144
RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic 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 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 20 V

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

PK$SPLASH: splash10-001i-9000000000-601f3c8c19e0adfb4935
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  57.300 29703.0 1
  67.100 1693071.0 26
  68.900 103960.5 2
  71.100 153465.5 2
  80.700 24752.5 1
  82.000 24752.5 1
  84.200 65490164.5 999
  85.100 54455.5 1
  94.700 94059.5 1
  95.100 574258.0 9
  97.000 24752.5 1
  101.900 24752.5 1
  112.300 118812.0 2
  113.300 841585.0 13
  115.300 19802.0 1
  130.400 2524755.0 39
//