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MassBank Record: KO003745

DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003745
RECORD_TITLE: DL-Pipecolic 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 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-e5b2220b7410a3429b95
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  40.900 29703.0 1
  42.000 69307.0 1
  42.900 34653.5 1
  43.900 59406.0 1
  55.000 574258.0 6
  56.200 4242578.5 42
  57.200 64356.5 1
  64.800 54455.5 1
  67.000 1049506.0 10
  69.300 227723.0 2
  70.300 69307.0 1
  71.200 84158.5 1
  74.200 39604.0 1
  79.800 24752.5 1
  81.000 29703.0 1
  82.400 371287.5 4
  83.400 143564.5 1
  84.200 101703072.0 999
  85.500 19802.0 1
  95.100 79208.0 1
  112.000 108911.0 1
  113.400 207921.0 2
  130.000 603961.0 6
//

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