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MassBank Record: KO003747

DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003747
RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0a59-9000000000-d1dc7829582bfd61d47b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29.800 24752.5 6
  39.000 34653.5 8
  40.900 148515.0 36
  42.200 103960.5 25
  43.100 59406.0 15
  44.200 29703.0 7
  54.300 84158.5 21
  55.200 648515.5 159
  56.200 3960400.0 971
  65.100 133663.5 33
  67.200 579208.5 142
  67.800 272277.5 67
  69.100 480198.5 118
  82.300 143564.5 35
  83.100 19802.0 5
  84.300 4074261.5 999
//

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