MassBank Record: MSBNK-Keio_Univ-KO002569
ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG
C07472
CH$LINK: PUBCHEM
SID:9675
CH$LINK: INCHIKEY
VPJXQGSRWJZDOB-UHFFFAOYSA-O
CH$LINK: COMPTOX
DTXSID0048397
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
//
system version 2.2.6-SNAPSHOT