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MassBank Record: KO004062

Succinylcholine; LC-ESI-QQ; MS2; CE:10 V; M++

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

ACCESSION: KO004062
RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-1900000000-03ce9b7680d991d0d67f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  55.400 59406.0 5
  56.900 14851.5 1
  59.300 49505.0 4
  67.300 94059.5 8
  68.800 19802.0 2
  71.300 14851.5 1
  72.900 138614.0 11
  73.300 29703.0 2
  77.000 59406.0 5
  79.900 34653.5 3
  81.000 1202971.5 97
  82.600 24752.5 2
  83.300 74257.5 6
  84.900 529703.5 43
  86.000 29703.0 2
  89.100 54455.5 4
  90.700 84158.5 7
  93.600 103960.5 8
  96.100 19802.0 2
  99.900 24752.5 2
  102.800 19802.0 2
  110.000 173267.5 14
  113.100 1569308.5 126
  115.800 1391090.5 112
  127.000 178218.0 14
  128.100 772278.0 62
  145.100 12425755.0 999
  171.000 99010.0 8
  204.000 29703.0 2
  230.400 103960.5 8
//

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