ACCESSION: MSBNK-Keio_Univ-KO004063
RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-016u-9300000000-2b53c4d7411b1f17e669
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  40.800 14851.5 4
  55.000 39604.0 12
  58.400 24752.5 7
  60.100 79208.0 24
  62.800 19802.0 6
  65.500 1074258.5 324
  67.000 29703.0 9
  71.100 59406.0 18
  71.800 39604.0 12
  72.900 34653.5 10
  73.900 59406.0 18
  79.800 1742576.0 525
  80.900 331683.5 100
  83.100 74257.5 22
  84.900 44554.5 13
  86.200 405941.0 122
  93.500 3316835.0 999
  98.500 193069.5 58
  100.100 34653.5 10
  102.700 99010.0 30
  104.100 128713.0 39
  110.200 44554.5 13
  113.000 54455.5 16
  115.800 2341586.5 705
  127.100 54455.5 16
  128.200 158416.0 48
  145.300 198020.0 60
  157.900 69307.0 21
  170.900 74257.5 22
  186.000 54455.5 16
  203.900 9901.0 3
//