MassBank Record: KO002335



 O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002335
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-927d7aac32d7f4932aaa PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 43.000 1202971.5 3 54.800 24752.5 1 57.100 1757427.5 5 58.100 455446.0 1 59.200 485149.0 1 60.100 12401002.5 35 61.300 59406.0 1 67.200 69307.0 1 69.000 94059.5 1 74.100 19802.0 1 80.900 79208.0 1 82.800 39604.0 1 84.200 1554457.0 4 84.900 356762733.0 999 88.600 19802.0 1 95.100 54455.5 1 95.500 34653.5 1 96.400 24752.5 1 97.000 34653.5 1 98.100 118812.0 1 99.700 24752.5 1 101.900 24752.5 1 102.900 292079.5 1 104.800 34653.5 1 106.900 54455.5 1 108.800 89109.0 1 114.300 19802.0 1 117.900 9901.0 1 128.000 59406.0 1 129.000 1569308.5 4 131.600 39604.0 1 141.900 24752.5 1 144.200 5579213.5 16 145.100 1801982.0 5 157.300 19802.0 1 159.300 79208.0 1 162.100 123762.5 1 171.400 24752.5 1 186.400 9901.0 1 204.200 1504952.0 4 //