MassBank Record: MSBNK-Keio_Univ-KO002759
ACCESSION: MSBNK-Keio_Univ-KO002759
RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 46
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00wc-9100000000-aeb1521c62f5010e11aa
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
10.400 39604.0 216
17.200 108911.0 594
24.400 183168.5 999
28.900 69307.0 378
30.200 178218.0 972
35.900 19802.0 108
36.700 64356.5 351
39.600 54455.5 297
40.700 59406.0 324
43.700 108911.0 594
45.000 39604.0 216
45.800 69307.0 378
47.600 24752.5 135
63.900 39604.0 216
68.700 19802.0 108
70.500 24752.5 135
75.200 74257.5 405
107.200 49505.0 270
125.500 59406.0 324
164.400 24752.5 135
210.300 49505.0 270
247.100 54455.5 297
344.400 14851.5 81
//
system version 2.2.6-SNAPSHOT