ACCESSION: MSBNK-RIKEN_ReSpect-PT110973
RECORD_TITLE: DL-Pipecolinic acid, Homoproline, (2S)-piperidine-2-carboxylic acid, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: DL-Pipecolinic acid
CH$NAME: Homoproline
CH$NAME: (2S)-piperidine-2-carboxylic acid
CH$NAME: 6-carboxypiperidine
CH$NAME: 2-piperidinecarboxylic acid
CH$NAME: hexahydropicolinic acid
CH$NAME: dihydrobaikiane
CH$NAME: pipecolinic acid
CH$NAME: pipecolate
CH$NAME: pipecolic acid
CH$NAME: piperidine-2-carboxylic acid
CH$NAME: HomoPro
CH$NAME: Hexahydropicolinic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Pipecolic acid
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.159
CH$SMILES: C1CCNC(C1)C(=O)O
CH$IUPAC: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
CH$LINK: CAS 535-75-1
CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 130.08677

PK$SPLASH: splash10-001i-9000000000-929057dfd61546bee24d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55.0568 2.543 5
  56.0504 32.22 64
  67.0547 12.53 25
  69.0603 6.582 13
  82.0663 5.906 12
  83.9932 2.55 5
  84.0312 2.826 6
  84.0506 3.617 7
  84.0818 505.2 999
  84.6501 2.563 5
  85.0601 2.59 5
  130.0868 3.998 8
//