MassBank Record: KO002557



 Carnitine; 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: KO002557
RECORD_TITLE: Carnitine; 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 C041

CH$NAME: Carnitine CH$NAME: 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner CH$NAME: Vitamin BT CH$NAME: L-gamma-Trimethyl-beta-hydroxybutyrobetaine CH$NAME: Levocarnitine CH$NAME: L-Carnitine CH$NAME: (R)-Carnitine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H15NO3 CH$EXACT_MASS: 161.10519 CH$SMILES: [O-1]C(=O)CC(O)C[N+1](C)(C)C CH$IUPAC: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 CH$LINK: CAS 541-15-1 CH$LINK: CHEBI 16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I CH$LINK: PUBCHEM SID:3612
AC$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$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-9b579c570aab7c7d3a21 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 54.200 128713.0 1 60.200 158416.0 1 71.600 39604.0 1 75.900 44554.5 1 79.900 54455.5 1 85.200 371287.5 1 89.200 103960.5 1 98.900 89109.0 1 102.000 990100.0 2 103.200 3440597.5 6 104.400 19802.0 1 108.400 24752.5 1 109.000 173267.5 1 111.200 59406.0 1 111.700 49505.0 1 113.300 59406.0 1 127.100 945545.5 2 130.200 99010.0 1 144.600 94059.5 1 145.300 2549507.5 5 162.200 565183733.5 999 //