MassBank Record: MSBNK-EPA-ENTACT_AGILENT001644
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
//