MassBank Record: MSBNK-Keio_Univ-KO002805
ACCESSION: MSBNK-Keio_Univ-KO002805
RECORD_TITLE: 2,6-Dimethylaniline; 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 D178
CH$NAME: 2,6-Dimethylaniline
CH$NAME: 2,6-DMA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)c(N)c(C)cc1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
CH$LINK: CAS
87-62-7
CH$LINK: KEGG
C11004
CH$LINK: NIKKAJI
J43.456F
CH$LINK: PUBCHEM
SID:13187
CH$LINK: INCHIKEY
UFFBMTHBGFGIHF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026307
AC$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$FOCUSED_ION: PRECURSOR_M/Z 122
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9100000000-55b02455925ca45960a0
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
39.100 39604.0 41
51.000 202970.5 209
53.100 44554.5 46
65.000 69307.0 71
76.900 970298.0 999
78.000 19802.0 20
78.900 123762.5 127
103.300 59406.0 61
105.900 168317.0 173
//