MassBank Record: KO002829



 Eserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002829
RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 276 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01ot-0900000000-daf3030c2c85de1db72e PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 43.100 29703.0 2 44.100 1861388.0 120 55.200 64356.5 4 56.200 227723.0 15 57.300 24752.5 2 58.100 183168.5 12 66.600 14851.5 1 77.000 138614.0 9 78.900 49505.0 3 81.200 29703.0 2 82.400 19802.0 1 91.200 297030.0 19 91.900 24752.5 2 93.100 178218.0 11 93.900 39604.0 3 95.200 34653.5 2 102.000 19802.0 1 102.900 168317.0 11 105.000 168317.0 11 107.000 178218.0 11 109.200 19802.0 1 111.300 14851.5 1 115.400 64356.5 4 117.400 103960.5 7 118.000 123762.5 8 119.300 242574.5 16 121.100 678218.5 44 126.800 64356.5 4 130.300 59406.0 4 131.100 212871.5 14 132.700 69307.0 4 134.200 1242575.5 80 143.800 69307.0 4 144.100 252475.5 16 145.100 519802.5 34 146.200 2405943.0 155 147.100 15490114.5 999 148.000 59406.0 4 158.300 108911.0 7 159.000 103960.5 7 160.200 2074259.5 134 161.300 4792084.0 309 162.300 7014858.5 452 172.100 455446.0 29 173.200 1004951.5 65 174.100 183168.5 12 176.300 871288.0 56 187.400 39604.0 3 188.300 366337.0 24 //