ACCESSION: MSBNK-RIKEN_ReSpect-PS109706
RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Aldrich, P45850.
COMMENT: PRIMe compound in-house ID V0042
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: DL-Pipecolinic acid
CH$NAME: Homoproline
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$LINK: KEGG C00408
CH$LINK: PUBCHEM CID:439227
CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 130.14

PK$SPLASH: splash10-053r-9000000000-175101cca72e7c412cb6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27.0 1516.0 33
  28.0 1708.0 37
  30.0 2214.0 48
  41.0 2829.0 61
  42.0 2009.0 44
  48.0 1501.0 33
  55.0 7235.0 157
  56.0 23682.0 514
  67.0 1802.0 39
  69.0 1512.0 33
  83.0 7419.0 161
  84.0 46009.0 999
  85.0 2130.0 46
  121.0 1519.0 33
//