MassBank Record: MT000060



 Butyrylcarnitine; LC-ESI-IT; MS2; m/z: 232.2; [M]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000060
RECORD_TITLE: Butyrylcarnitine; LC-ESI-IT; MS2; m/z: 232.2; [M]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Butyrylcarnitine CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty esters; Fatty acyl carnitines CH$FORMULA: [C11H22NO4]+ CH$EXACT_MASS: 232.15488 CH$SMILES: CCCC(=O)OC([H])(CC(O)=O)C[N+1](C)(C)C CH$IUPAC: InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/p+1/t9-/m1/s1 CH$LINK: CAS 25576-40-3 CH$LINK: HMDB HMDB02013 CH$LINK: KEGG C02862 CH$LINK: LIPIDMAPS LMFA07070003 CH$LINK: PUBCHEM CID:213145 CH$LINK: INCHIKEY QWYFHHGCZUCMBN-SECBINFHSA-O
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$FOCUSED_ION: PRECURSOR_M/Z 232.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-0079-4900000000-e6aeaba1a6a328a52e6d PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 71.2 1.3 13 72.2 1.8 18 73.2 0.5 5 74.4 0.1 1 85.1 100.0 999 86.2 7.6 76 95.3 0.1 1 101.3 0.1 1 106.2 0.1 1 106.9 0.3 3 117.2 0.1 1 119.2 0.5 5 120.1 0.1 1 121.2 0.7 7 129.0 0.9 9 130.2 0.4 4 130.9 0.2 2 133.1 0.3 3 135.0 0.1 1 144.2 6.1 61 145.1 0.7 7 147.0 0.5 5 148.1 2.6 26 149.2 0.3 3 155.0 0.7 7 155.9 0.3 3 157.2 0.3 3 161.1 1.0 10 163.2 0.2 2 171.1 1.6 16 173.1 86.4 863 174.1 13.9 139 175.2 1.0 10 177.1 1.6 16 181.0 0.3 3 184.1 13.9 139 185.2 82.9 828 186.2 13.3 133 187.2 2.3 23 188.1 1.0 10 189.1 1.7 17 191.2 0.7 7 199.1 0.7 7 200.1 0.9 9 201.2 1.6 16 203.0 4.4 44 205.0 0.7 7 207.4 0.2 2 211.1 0.1 1 213.1 2.7 27 215.0 3.5 35 216.3 0.3 3 217.2 0.7 7 218.9 0.4 4 222.3 0.3 3 229.0 0.2 2 247.3 0.1 1 //