MassBank Record: MSBNK-Keio_Univ-KO002757
ACCESSION: MSBNK-Keio_Univ-KO002757
RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:20 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 D103
CH$NAME: Dimethylamine
CH$NAME: (CH3)2NH
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H7N
CH$EXACT_MASS: 45.05785
CH$SMILES: CNC
CH$IUPAC: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
CH$LINK: CAS
124-40-3
CH$LINK: CHEBI
17170
CH$LINK: CHEMPDB DMN
CH$LINK: KEGG
C00543
CH$LINK: NIKKAJI
J2.933E
CH$LINK: PUBCHEM
SID:3824
CH$LINK: INCHIKEY
ROSDSFDQCJNGOL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5024057
AC$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$FOCUSED_ION: PRECURSOR_M/Z 46
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9000000000-df28f146170e28bfcb5e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15.600 158416.0 15
17.200 49505.0 5
20.000 99010.0 9
25.100 138614.0 13
28.400 34653.5 3
29.300 49505.0 5
30.300 158416.0 15
31.100 376238.0 36
44.100 99010.0 9
44.800 34653.5 3
46.200 10415852.0 999
56.900 24752.5 2
88.900 34653.5 3
119.100 24752.5 2
122.700 24752.5 2
136.100 118812.0 11
182.800 59406.0 6
198.400 39604.0 4
223.400 84158.5 8
387.500 24752.5 2
399.700 9901.0 1
503.100 24752.5 2
//