ACCESSION: MSBNK-EPA-ENTACT_AGILENT001645
RECORD_TITLE: Ricinine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-000x-9000000000-a80697d16aac3db02320
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  39.022927 8.258631 82
  40.030752 1.625095 16
  41.026001 7.439906 74
  41.038577 4.605012 46
  42.033826 100.000002 999
  43.017841 2.666117 26
  51.022927 6.039575 60
  52.018175 2.303638 23
  52.030752 1.242552 12
  53.002191 5.537333 55
  53.026001 1.142208 11
  53.038577 8.412872 84
  54.033826 19.555756 195
  55.017841 21.261472 212
  55.041651 10.787603 107
  56.049476 6.274433 62
  58.02874 3.020474 30
  58.065126 1.029951 10
  64.018175 7.19236 71
  65.026001 1.656624 16
  65.038577 4.463966 44
  65.99744 1.296258 12
  66.033826 5.624956 56
  67.005265 4.594491 45
  67.041651 24.194542 241
  68.01309 2.336603 23
  68.049476 10.099599 100
  69.033491 1.618995 16
  70.065126 2.318116 23
  76.018175 1.861561 18
  77.026001 2.142748 21
  78.033826 7.948665 79
  79.029075 1.060089 10
  79.041651 1.419003 14
  80.01309 2.768927 27
  80.049476 5.160591 51
  81.020915 1.495979 14
  82.02874 77.165031 770
  82.065126 2.951327 29
  83.012756 4.394427 43
  83.036565 2.253897 22
  84.04439 43.669384 436
  90.021249 2.597002 25
  92.0369 1.077965 10
  92.049476 1.865723 18
  93.020915 1.626539 16
  93.044725 42.967428 429
  93.992355 1.73772 17
  94.02874 3.258932 32
  94.05255 3.264494 32
  95.036565 2.579067 25
  103.029075 1.484113 14
  105.044725 9.64308 96
  108.04439 4.602806 45
  109.052215 1.574816 15
  110.06004 2.267643 22
  121.039639 3.419979 34
  122.047464 2.744614 27
//