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MassBank Record: KO003746

DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003746
RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-9000000000-e5a8f35e91abe8d99ac5
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  38.600 19802.0 1
  41.000 113861.5 4
  42.000 148515.0 5
  54.600 49505.0 2
  55.100 1500001.5 47
  56.200 8821791.0 276
  57.200 128713.0 4
  64.900 148515.0 5
  67.100 1326734.0 42
  67.800 207921.0 7
  69.000 628713.5 20
  70.200 79208.0 2
  77.000 34653.5 1
  80.000 29703.0 1
  82.000 396040.0 12
  84.100 31910923.0 999
//

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