MassBank Record: KO002336



 O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002336
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-655718c5b85128fa7468 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 41.100 64356.5 1 43.100 4465351.0 24 44.900 118812.0 1 55.400 29703.0 1 57.200 5430698.5 29 58.200 1386140.0 7 59.200 1084159.5 6 60.200 8752484.0 46 61.200 118812.0 1 66.900 74257.5 1 69.100 59406.0 1 69.400 34653.5 1 80.900 74257.5 1 82.900 39604.0 1 84.100 6207927.0 33 85.000 188807119.5 999 90.700 39604.0 1 95.800 39604.0 1 98.100 74257.5 1 99.800 19802.0 1 101.900 64356.5 1 103.100 138614.0 1 108.100 24752.5 1 116.800 19802.0 1 129.000 905941.5 5 132.000 34653.5 1 143.800 128713.0 1 144.200 747525.5 4 //