MassBank Record: KO002827



 Eserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002827
RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 276 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-d9ddac609ada184032ac PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 43.000 19802.0 1 43.900 1599011.5 18 56.300 321782.5 4 56.800 69307.0 1 58.100 217822.0 2 69.400 54455.5 1 72.500 14851.5 1 73.100 19802.0 1 82.900 84158.5 1 84.400 44554.5 1 92.300 19802.0 1 96.900 29703.0 1 101.100 99010.0 1 101.900 524753.0 6 111.300 202970.5 2 121.200 49505.0 1 129.000 173267.5 2 131.100 24752.5 1 133.200 34653.5 1 134.300 326733.0 4 145.300 29703.0 1 146.000 118812.0 1 147.100 1910893.0 21 157.400 24752.5 1 159.900 123762.5 1 161.100 1509902.5 17 162.300 89564446.0 999 171.000 44554.5 1 173.300 163366.5 2 174.100 143564.5 2 176.200 17603978.0 196 188.300 5108916.0 57 189.300 376238.0 4 189.800 19802.0 1 197.500 19802.0 1 199.400 19802.0 1 219.400 5925748.5 66 233.300 1103961.5 12 245.600 297030.0 3 259.400 34653.5 1 //