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: 147.11335
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.
  44.1 1737630.0 10.0
  44.9 1.01089E7 56.0
  55.4 69307.0 1.0
  56.3 39604.0 1.0
  58.0 198020.0 1.0
  60.1 1.48366E7 82.0
  61.9 34653.5 1.0
  69.9 64356.5 1.0
  71.0 970298.0 5.0
  83.8 44554.5 1.0
  84.0 54455.5 1.0
  85.0 24752.5 1.0
  86.2 2217820.0 12.0
  88.1 1.79940992E8 999.0
  104.1 1490100.0 8.0
  147.3 123762.0 1.0
//