MassBank Record: KO002558



 Carnitine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002558
RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ik9-0900000000-e37d3def2de1af5bd2f5 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 43.100 277228.0 1 57.100 277228.0 1 60.200 11396051.0 57 61.000 59406.0 1 67.200 34653.5 1 69.100 29703.0 1 71.200 202970.5 1 73.100 24752.5 1 75.000 19802.0 1 81.100 108911.0 1 83.300 59406.0 1 84.900 19183187.5 96 89.000 84158.5 1 99.200 163366.5 1 100.100 39604.0 1 102.100 22401012.5 112 102.900 88841673.0 444 109.200 391089.5 2 113.500 44554.5 1 116.700 29703.0 1 120.300 29703.0 1 121.200 79208.0 1 127.000 544555.0 3 144.800 49505.0 1 145.100 198020.0 1 161.600 391089.5 2 162.200 199817031.5 999 //