MassBank Record: KO002561



 Carnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002561
RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4l-9000000000-2402e260a330ff1772a1 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 28.900 24752.5 3 38.900 29703.0 4 41.100 153465.5 21 43.100 5876243.5 793 44.100 940595.0 127 44.900 1069308.0 144 56.300 49505.0 7 57.300 940595.0 127 58.300 7405948.0 999 59.100 1985150.5 268 60.200 3168320.0 427 61.100 193069.5 26 72.900 24752.5 3 84.000 54455.5 7 85.300 737624.5 99 102.000 707921.5 95 103.000 44554.5 6 //