MassBank Record: KO004065

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Succinylcholine; LC-ESI-QQ; MS2; CE:40 V; M++

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

ACCESSION: KO004065
RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:40 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$LINK: COMPTOX DTXSID7048455
CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N
CH$LINK: KEGG C07925
CH$LINK: PUBCHEM SID:10127

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

PK$SPLASH: splash10-000i-9000000000-7519fb6f099b4537a57c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43.3 24752.5 15.0
  45.3 9901.0 6.0
  55.0 207921.0 129.0
  55.5 29703.0 18.0
  58.2 346535.0 215.0
  58.9 69307.0 43.0
  60.0 39604.0 25.0
  65.4 29703.0 18.0
  71.1 316832.0 196.0
  72.1 183168.0 113.0
  72.8 89109.0 55.0
  86.2 1613860.0 999.0
  86.8 14851.5 9.0
  99.1 99010.0 61.0
//