MassBank Record: KO009089

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O-Acetylcarnitine; LC-ESI-IT; MS3; m/z: 204/85; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO009089
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-IT; MS3; m/z: 204/85; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A143
COMMENT: [MS2] KO009087

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 MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 204/85 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-6920000000-83bf74cb0d906c0b7ac5 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 57.2 27.00 395 74.2 3.97 58 85.1 68.26 999 99.2 3.83 56 103.0 13.92 204 107.1 4.69 69 114.0 20.40 299 116.1 5.43 79 121.0 2.69 39 128.2 1.46 21 136.1 11.62 170 137.1 7.83 115 143.1 4.15 61 149.1 3.08 45 152.1 14.15 207 171.2 1.84 27 172.2 3.23 47 172.9 16.72 245 175.0 19.79 290 187.1 5.15 75 188.1 1.30 19 199.2 1.83 27 200.4 0.77 11 213.2 6.35 93 221.2 7.05 103 223.1 2.62 38 225.2 5.98 88 234.8 1.14 17 239.0 4.92 72 246.6 13.06 191 //