MassBank Record: KO002337



 O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002337
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A143

CH$NAME: O-Acetylcarnitine CH$NAME: O-Acetyl-L-carnitine CH$COMPOUND_CLASS: N/A CH$FORMULA: [C9H18NO4]+ CH$EXACT_MASS: 204.12358 CH$SMILES: CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C CH$IUPAC: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m0/s1 CH$LINK: CHEBI 15960 CH$LINK: KEGG C02571 CH$LINK: PUBCHEM SID:5567 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-724e03c7a08e09d1be52 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 29.300 69307.0 1 39.200 59406.0 1 41.100 99010.0 2 43.000 3960400.0 73 43.900 118812.0 2 44.900 361386.5 7 55.000 9901.0 1 57.300 4267331.0 79 58.200 1529704.5 28 59.200 500000.5 9 60.100 3886142.5 72 61.100 113861.5 2 67.000 94059.5 2 68.900 29703.0 1 70.000 44554.5 1 78.400 24752.5 1 84.300 4465351.0 82 85.100 54163420.5 999 102.500 24752.5 1 105.900 14851.5 1 116.900 34653.5 1 128.900 74257.5 1 //