MassBank Record: MT000096

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DL-Pipecolic acid; LC-ESI-IT; MS2; m/z: 130.1; [M+H]+

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

ACCESSION: MT000096
RECORD_TITLE: DL-Pipecolic acid; LC-ESI-IT; MS2; m/z: 130.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: pipecolate
CH$NAME: DL-Pipecolic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H11NO2
CH$EXACT_MASS: 129.078980000000001382431946694850921630859375
CH$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 4043-87-2
CH$LINK: HMDB HMDB00070
CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N
CH$LINK: KEGG C00408

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 130.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-001i-9000000000-4c79a7eb98fbfc7dc32e
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  84.1 100.0 999
  85.2 2.1 21
  111.1 0.4 4
  112.1 0.1 1
  130.2 1.1 11
//