MassBank Record: KO009087



 O-Acetylcarnitine; LC-ESI-IT; MS2; m/z: 204; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009087
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-IT; MS2; m/z: 204; [M+H]+
DATE: 2011.05.10 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute 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: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 204 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000j-9500000000-ef60f31e3e0de6738dad PK$ANNOTATION: m/z struct. num formula mass 145.0 1 1 C6H9O4 145.05008 85.1 0 1 C4H5O2 85.02895 60.2 1 1 C3H10N 60.08132 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 57.2 242.91 1 58.2 29.20 1 59.5 36.26 1 60.2 54351.15 226 61.1 115.20 1 63.9 77.16 1 66.0 44.60 1 69.5 241.10 1 74.1 130.01 1 84.2 125.58 1 85.1 239846.74 999 86.0 401.84 2 88.5 35.19 1 89.9 28.52 1 95.5 64.60 1 97.5 6.60 1 103.1 13.29 1 107.1 15.60 1 116.1 27.48 1 129.1 12.50 1 136.1 15.55 1 143.0 38.60 1 144.1 8261.99 34 145.0 159723.58 665 146.0 145.83 1 157.9 118.13 1 161.1 46.67 1 162.2 20.19 1 169.1 160.16 1 175.1 123.73 1 186.1 122.50 1 187.1 267.96 1 189.7 67.25 1 204.1 310.74 1 220.2 10.29 1 221.9 44.39 1 230.1 19.60 1 242.3 15.12 1 244.5 16.88 1 246.2 43.48 1 //