MassBank Record: KO002828

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Eserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$LINK: COMPTOX DTXSID3023471
CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N
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.
  44.2 2445550.0 55.0
  56.0 400990.0 9.0
  58.2 316832.0 7.0
  66.6 14851.5 1.0
  69.3 64356.5 1.0
  83.1 64356.5 1.0
  90.8 69307.0 2.0
  96.9 14851.5 1.0
  101.0 103960.0 2.0
  101.9 103960.0 2.0
  102.9 64356.5 1.0
  105.2 133664.0 3.0
  106.2 24752.5 1.0
  107.2 84158.5 2.0
  109.3 24752.5 1.0
  111.2 79208.0 2.0
  116.9 24752.5 1.0
  119.1 94059.5 2.0
  121.0 376238.0 8.0
  130.0 49505.0 1.0
  131.0 103960.0 2.0
  131.8 29703.0 1.0
  132.9 128713.0 3.0
  134.2 1831680.0 41.0
  135.0 34653.5 1.0
  142.1 29703.0 1.0
  144.1 405941.0 9.0
  145.2 356436.0 8.0
  146.1 762377.0 17.0
  147.0 1.47129E7 328.0
  148.1 188119.0 4.0
  158.2 99010.0 2.0
  160.3 797030.0 18.0
  161.1 6316840.0 141.0
  162.3 4.4802E7 999.0
  169.6 39604.0 1.0
  171.2 24752.5 1.0
  172.3 108911.0 2.0
  173.2 930694.0 21.0
  174.2 306931.0 7.0
  176.3 8440600.0 188.0
  188.3 3495050.0 78.0
  189.2 74257.5 2.0
  219.5 69307.0 2.0
  259.6 14851.5 1.0
//