MassBank Record: KO002560



 Carnitine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002560
RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0r0c-9200000000-a11a4872036f3c33d25a PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 29.000 99010.0 8 41.000 257426.0 22 43.100 9826742.5 838 43.900 405941.0 35 45.100 1108912.0 95 54.900 59406.0 5 57.300 4504955.0 384 58.300 5222777.5 445 59.200 4257430.0 363 60.300 11712883.0 999 61.100 594060.0 51 67.100 24752.5 2 69.300 29703.0 3 69.800 34653.5 3 72.800 44554.5 4 73.400 44554.5 4 79.400 14851.5 1 80.900 39604.0 3 84.000 123762.5 11 85.000 11564368.0 986 86.800 19802.0 2 90.100 19802.0 2 101.900 9103969.5 776 102.800 3143567.5 268 116.900 19802.0 2 118.000 34653.5 3 162.200 59406.0 5 208.100 24752.5 2 //