MassBank Record: KO003743

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DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003743
RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:10 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: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N
CH$LINK: KEGG C00408
CH$LINK: NIKKAJI J215.717I
CH$LINK: PUBCHEM SID:3698

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 10 V

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

PK$SPLASH: splash10-001i-0900000000-edd41fa2c224ec5f5a1e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  60.0 44554.5 1.0
  70.9 272278.0 1.0
  71.5 14851.5 1.0
  73.1 19802.0 1.0
  76.0 79208.0 1.0
  80.3 99010.0 1.0
  80.8 381188.0 2.0
  84.1 1.91535E7 91.0
  87.0 74257.5 1.0
  94.0 39604.0 1.0
  95.2 94059.5 1.0
  99.8 14851.5 1.0
  104.8 153466.0 1.0
  112.0 64356.5 1.0
  113.1 3430700.0 16.0
  129.1 24752.5 1.0
  130.1 2.10698E8 999.0
  148.1 44554.5 1.0
//