MassBank Record: KO002569

Home Search Record Index Data Privacy Imprint

Carbachol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002569
RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C044

CH$NAME: Carbachol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15N2O2+
CH$EXACT_MASS: 147.113349999999996953192749060690402984619140625
CH$SMILES: NC(=O)OCC[N+1](C)(C)C
CH$IUPAC: InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
CH$LINK: COMPTOX DTXSID0048397
CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O
CH$LINK: KEGG C07472
CH$LINK: PUBCHEM SID:9675

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$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-c945da5758546b68b68a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  44.100 1737625.5 10
  44.900 10108921.0 56
  55.400 69307.0 1
  56.300 39604.0 1
  58.000 198020.0 1
  60.100 14836648.5 82
  61.900 34653.5 1
  69.900 64356.5 1
  71.000 970298.0 5
  83.800 44554.5 1
  84.000 54455.5 1
  85.000 24752.5 1
  86.200 2217824.0 12
  88.100 179940774.0 999
  104.100 1490100.5 8
  147.300 123762.5 1
//