ACCESSION: MSBNK-Keio_Univ-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$EXACT_MASS: 107.07350
CH$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: KEGG C02299
CH$LINK: NIKKAJI J3.591B
CH$LINK: PUBCHEM SID:5354
CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021841

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.
  36.000 103960.5 30
  50.500 54455.5 16
  54.300 69307.0 20
  55.200 198020.0 58
  64.900 217822.0 64
  65.900 381188.5 112
  67.200 29703.0 9
  73.100 678218.5 199
  76.100 301980.5 89
  78.100 74257.5 22
  91.000 1930695.0 566
  92.300 148515.0 44
  93.100 311881.5 91
  108.100 3405944.0 999
//