MassBank Record: KO002828



 Eserine; 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: KO002828
RECORD_TITLE: Eserine; 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 E007

CH$NAME: Eserine CH$NAME: Physostigmine CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H21N3O2 CH$EXACT_MASS: 275.16338 CH$SMILES: CNC(=O)Oc(c3)cc(c(c3)1)C(C)(C2)C(N(C)C2)N(C)1 CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I CH$LINK: PUBCHEM SID:8765
AC$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$FOCUSED_ION: PRECURSOR_M/Z 276 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-ef8f7c2ddbdba70fe1d3 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 44.200 2445547.0 55 56.000 400990.5 9 58.200 316832.0 7 66.600 14851.5 1 69.300 64356.5 1 83.100 64356.5 1 90.800 69307.0 2 96.900 14851.5 1 101.000 103960.5 2 101.900 103960.5 2 102.900 64356.5 1 105.200 133663.5 3 106.200 24752.5 1 107.200 84158.5 2 109.300 24752.5 1 111.200 79208.0 2 116.900 24752.5 1 119.100 94059.5 2 121.000 376238.0 8 130.000 49505.0 1 131.000 103960.5 2 131.800 29703.0 1 132.900 128713.0 3 134.200 1831685.0 41 135.000 34653.5 1 142.100 29703.0 1 144.100 405941.0 9 145.200 356436.0 8 146.100 762377.0 17 147.000 14712886.0 328 148.100 188119.0 4 158.200 99010.0 2 160.300 797030.5 18 161.100 6316838.0 141 162.300 44802025.0 999 169.600 39604.0 1 171.200 24752.5 1 172.300 108911.0 2 173.200 930694.0 21 174.200 306931.0 7 176.300 8440602.5 188 188.300 3495053.0 78 189.200 74257.5 2 219.500 69307.0 2 259.600 14851.5 1 //