ACCESSION: MSBNK-EPA-ENTACT_AGILENT001644
RECORD_TITLE: Ricinine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ricinine
CH$NAME: DTXSID50200412
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂O₂
CH$EXACT_MASS: 164.0585775146
CH$SMILES: COC1C=CN(C)C(=O)C=1C#N
CH$IUPAC: InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
CH$LINK: CAS 524-40-3
CH$LINK: INCHIKEY PETSAYFQSGAEQY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10666

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 165.0658539663
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-015i-6900000000-10e8d784176a782a93ab
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  42.033826 15.244384 152
  53.038577 2.466269 24
  55.017841 3.679564 36
  65.038577 1.565951 15
  67.017841 1.178348 11
  67.041651 2.201384 21
  68.049476 9.360977 93
  70.065126 5.132037 51
  78.033826 2.135865 21
  80.049476 6.027345 60
  82.02874 30.922789 308
  82.065126 3.837492 38
  83.012756 10.775732 107
  84.04439 33.422074 333
  92.049476 4.383349 43
  93.044725 1.300222 12
  94.02874 1.098172 10
  94.05255 1.206115 12
  94.065126 1.181851 11
  96.04439 1.046668 10
  97.028406 1.40275 14
  105.044725 1.871535 18
  106.02874 1.192945 11
  106.05255 1.047779 10
  108.04439 16.223503 162
  110.06004 15.379929 153
  122.047464 4.616863 46
  138.054955 59.405427 593
  150.042379 7.09379 70
  165.065854 99.999999 999
//