MassBank Record: KO002334



 O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002334
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f79-9150000000-61a6fae0029289488fc0 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 49.900 99010.0 1 56.900 54455.5 1 58.200 34653.5 1 60.100 7638621.5 28 61.400 19802.0 1 68.800 24752.5 1 69.400 14851.5 1 71.000 44554.5 1 72.800 14851.5 1 75.000 49505.0 1 78.200 64356.5 1 80.900 29703.0 1 83.000 34653.5 1 85.000 271926014.5 999 86.300 9901.0 1 95.200 19802.0 1 97.900 49505.0 1 99.800 69307.0 1 102.800 79208.0 1 109.000 108911.0 1 123.000 49505.0 1 125.200 39604.0 1 127.100 252475.5 1 129.100 123762.5 1 138.300 49505.0 1 140.300 49505.0 1 141.000 19802.0 1 141.500 54455.5 1 144.100 9014860.5 33 145.200 45722818.0 168 155.100 94059.5 1 159.000 99010.0 1 169.100 138614.0 1 186.200 49505.0 1 187.100 158416.0 1 204.300 156807087.5 576 //

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