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MassBank Record: KO004066

Succinylcholine; LC-ESI-QQ; MS2; CE:50 V; M++

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

ACCESSION: KO004066
RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:50 V; M++
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S103

CH$NAME: Succinylcholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30N2O42+
CH$EXACT_MASS: 290.22056
CH$SMILES: O=C(OCC[N+1](C)(C)C)CCC(=O)OCC[N+1](C)(C)C
CH$IUPAC: InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
CH$LINK: KEGG C07925
CH$LINK: PUBCHEM SID:10127
CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7048455

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$FOCUSED_ION: PRECURSOR_M/Z 145
MS$FOCUSED_ION: PRECURSOR_TYPE [M]++

PK$SPLASH: splash10-05g0-9000000000-75f6c6c9750e55597f6a
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  44.800 44554.5 106
  56.000 64356.5 153
  58.300 262376.5 623
  69.800 29703.0 71
  71.000 420792.5 999
  72.000 173267.5 411
  85.900 316832.0 752
//

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