MassBank Record: KO002333



 O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002333
RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0090000000-f12e2960ab91440b4e1a PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 50.100 222772.5 1 56.700 14851.5 1 60.100 138614.0 1 68.000 59406.0 1 71.300 54455.5 1 78.200 118812.0 1 81.000 19802.0 1 82.200 202970.5 1 84.200 59406.0 1 85.200 4514856.0 5 96.200 39604.0 1 98.000 193069.5 1 107.900 49505.0 1 109.200 14851.5 1 113.400 49505.0 1 114.800 84158.5 1 117.000 24752.5 1 125.900 54455.5 1 127.300 153465.5 1 139.900 39604.0 1 140.800 29703.0 1 144.600 935644.5 1 145.000 6886145.5 8 151.200 29703.0 1 155.300 148515.0 1 157.600 9901.0 1 159.100 44554.5 1 161.400 14851.5 1 169.000 366337.0 1 172.100 84158.5 1 186.200 163366.5 1 187.200 1702972.0 2 204.300 859154324.5 999 //