ACCESSION: MSBNK-AGILENT-AG000050
RECORD_TITLE: Aminocarb; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Aminocarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆N₂O₂
CH$EXACT_MASS: 208.12118
CH$SMILES: CC1=CC(=CC=C1N(C)C)OC(=O)NC
CH$IUPAC: InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
CH$LINK: CAS 2032-59-9
CH$LINK: CHEMSPIDER 15416
CH$LINK: INCHIKEY IMIDOCRTMDIQIJ-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 209.1284542215
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0079-0900000000-389d8c62467cfceee7ca
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  67.054227 1.888293 18
  77.038577 4.167385 41
  91.054227 1.639002 16
  92.062052 1.169117 11
  94.065126 5.000232 49
  95.049141 1.587092 15
  107.049141 1.91438 19
  108.056966 2.978256 29
  120.056966 4.987445 49
  122.06004 100 999
  136.07569 38.469779 384
  137.083515 72.267113 721
//