MassBank Record: MT000025

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Decanoylcarnitine; LC-ESI-IT; MS2; m/z: 316.3; [M]+

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

ACCESSION: MT000025
RECORD_TITLE: Decanoylcarnitine; LC-ESI-IT; MS2; m/z: 316.3; [M]+
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$NAME: Decanoylcarnitine
CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty esters; Fatty acyl carnitines
CH$FORMULA: C17H34NO4+
CH$EXACT_MASS: 316.2487800000000106592779047787189483642578125
CH$SMILES: CCCCCCCCCC(=O)OC(CC(O)=O)C[N+1](C)(C)C
CH$IUPAC: InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/p+1
CH$LINK: CAS 1492-27-9
CH$LINK: HMDB HMDB00651
CH$LINK: INCHIKEY LZOSYCMHQXPBFU-UHFFFAOYSA-O
CH$LINK: PUBCHEM CID:3332882

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$FOCUSED_ION: PRECURSOR_M/Z 316.3
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0a4i-0290000000-f1161b9a0faec9ab4cc7
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  95.1 1.9 19
  137.2 1.0 10
  144.1 3.5 35
  155.1 22.9 229
  156.2 0.3 3
  173.2 1.3 13
  237.7 0.2 2
  238.6 0.8 8
  239.3 1.0 10
  257.2 100.0 999
  258.2 2.0 20
//