MassBank Record: KO004064

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Succinylcholine; LC-ESI-QQ; MS2; CE:30 V; M++

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

ACCESSION: KO004064
RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00kr-9000000000-4fd5dce2adbd5179c2a1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  45.0 128713.0 45.0
  55.2 143564.0 51.0
  58.1 163366.0 58.0
  58.7 188119.0 66.0
  65.4 1455450.0 514.0
  68.2 34653.5 12.0
  68.9 34653.5 12.0
  69.6 19802.0 7.0
  70.9 123762.0 44.0
  72.0 128713.0 45.0
  73.0 64356.5 23.0
  74.2 29703.0 10.0
  79.7 346535.0 122.0
  83.4 49505.0 17.0
  86.3 2826740.0 999.0
  93.7 39604.0 14.0
  99.1 237624.0 84.0
  101.2 24752.5 9.0
  104.1 143564.0 51.0
  129.9 14851.5 5.0
  157.3 24752.5 9.0
//