MassBank Record: KO002826



 Eserine; 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: KO002826
RECORD_TITLE: Eserine; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 276 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0490000000-e4a06a93b3b18d738157 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 43.900 311881.5 3 50.100 39604.0 1 56.100 69307.0 1 57.400 19802.0 1 58.100 133663.5 1 72.200 14851.5 1 83.400 34653.5 1 84.900 39604.0 1 97.400 14851.5 1 99.300 44554.5 1 102.000 1811883.0 17 105.000 14851.5 1 111.500 148515.0 1 129.100 321782.5 3 134.100 143564.5 1 146.200 29703.0 1 147.100 188119.0 2 156.800 29703.0 1 157.700 14851.5 1 160.800 34653.5 1 162.200 47608958.5 441 171.300 19802.0 1 173.900 39604.0 1 175.400 524753.0 5 176.300 7702978.0 71 185.200 198020.0 2 188.200 1321783.5 12 189.300 747525.5 7 199.200 29703.0 1 203.000 113861.5 1 216.100 24752.5 1 219.300 107925850.5 999 230.900 29703.0 1 233.200 9014860.5 83 241.200 74257.5 1 244.300 54455.5 1 245.500 2316834.0 21 259.400 212871.5 2 259.800 29703.0 1 276.500 1960398.0 18 //