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MassBank Record: KO004065

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$LINK: KEGG C07925
CH$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 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.
  43.300 24752.5 15
  45.300 9901.0 6
  55.000 207921.0 129
  55.500 29703.0 18
  58.200 346535.0 215
  58.900 69307.0 43
  60.000 39604.0 25
  65.400 29703.0 18
  71.100 316832.0 196
  72.100 183168.5 113
  72.800 89109.0 55
  86.200 1613863.0 999
  86.800 14851.5 9
  99.100 99010.0 61
//

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