ACCESSION: MSBNK-Keio_Univ-KO003743
RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:10 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 P048

CH$NAME: Pipecolate
CH$NAME: Pipecolic acid
CH$NAME: 2-Piperidinecarboxylic acid
CH$NAME: L-Pipecolate
CH$NAME: Pipecolinic acid
CH$NAME: DL-Pipecolic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.07898
CH$SMILES: OC(=O)C([H])(C1)NCCC1
CH$IUPAC: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 3105-95-1
CH$LINK: CHEBI 30913
CH$LINK: KEGG C00408
CH$LINK: NIKKAJI J215.717I
CH$LINK: PUBCHEM SID:3698
CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-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 10 V

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

PK$SPLASH: splash10-001i-0900000000-edd41fa2c224ec5f5a1e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  60.000 44554.5 1
  70.900 272277.5 1
  71.500 14851.5 1
  73.100 19802.0 1
  76.000 79208.0 1
  80.300 99010.0 1
  80.800 381188.5 2
  84.100 19153484.5 91
  87.000 74257.5 1
  94.000 39604.0 1
  95.200 94059.5 1
  99.800 14851.5 1
  104.800 153465.5 1
  112.000 64356.5 1
  113.100 3430696.5 16
  129.100 24752.5 1
  130.100 210698230.5 999
  148.100 44554.5 1
//