ACCESSION: MSBNK-Keio_Univ-KO002145
RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 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 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
//