MassBank Record: MSBNK-Keio_Univ-KO002760
ACCESSION: MSBNK-Keio_Univ-KO002760
RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 46
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-017i-9101000000-c269a0887eed5daf0e28
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
12.000 14851.5 111
17.000 84158.5 629
21.800 59406.0 444
28.000 64356.5 481
29.000 69307.0 518
30.900 44554.5 333
35.900 64356.5 481
40.400 39604.0 296
41.900 29703.0 222
43.100 49505.0 370
45.000 34653.5 259
46.500 59406.0 444
54.300 29703.0 222
62.000 9901.0 74
74.600 39604.0 296
88.000 49505.0 370
90.500 64356.5 481
103.300 29703.0 222
109.000 14851.5 111
123.900 24752.5 185
130.000 64356.5 481
281.700 89109.0 666
337.400 14851.5 111
369.900 133663.5 999
824.100 14851.5 111
//
system version 2.2.6-SNAPSHOT