MassBank Record: KO002834



 Ectoine; 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: KO002834
RECORD_TITLE: Ectoine; 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 E011

CH$NAME: Ectoine CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10N2O2 CH$EXACT_MASS: 142.07423 CH$SMILES: CC(N1)=NC(CC1)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10) CH$LINK: KEGG C06231 CH$LINK: PUBCHEM SID:8474
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 143 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0900000000-1a8c0a1b9afb32021d19 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 58.700 9901.0 1 62.900 39604.0 1 68.000 74257.5 1 72.700 59406.0 1 77.800 108911.0 1 79.100 232673.5 1 80.800 29703.0 1 83.100 3668320.5 10 85.300 64356.5 1 97.000 8133671.5 21 101.000 1490100.5 4 101.800 94059.5 1 106.900 54455.5 1 108.100 24752.5 1 111.200 74257.5 1 113.200 14851.5 1 114.400 24752.5 1 124.900 381188.5 1 125.900 1178219.0 3 143.100 382421174.5 999 //