MassBank Record: KO003451

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N-Methylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003451
RECORD_TITLE: N-Methylaniline; 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 M066

CH$NAME: N-Methylaniline
CH$NAME: N-Methylbenzenamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.0735
CH$SMILES: CNc(c1)cccc1
CH$IUPAC: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
CH$LINK: CAS 100-61-8
CH$LINK: CHEBI 15733
CH$LINK: COMPTOX DTXSID9021841
CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N
CH$LINK: KEGG C02299
CH$LINK: NIKKAJI J3.591B
CH$LINK: PUBCHEM SID:5354

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$FOCUSED_ION: PRECURSOR_M/Z 108
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4l-9600000000-74e3043f79ca69208d75
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  36.0 103960.0 30.0
  50.5 54455.5 16.0
  54.3 69307.0 20.0
  55.2 198020.0 58.0
  64.9 217822.0 64.0
  65.9 381188.0 112.0
  67.2 29703.0 9.0
  73.1 678218.0 199.0
  76.1 301980.0 89.0
  78.1 74257.5 22.0
  91.0 1930700.0 566.0
  92.3 148515.0 44.0
  93.1 311882.0 91.0
  108.1 3405940.0 999.0
//