MassBank Record: MSBNK-AGILENT-AG000002
ACCESSION: MSBNK-AGILENT-AG000002
RECORD_TITLE: Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Imazalil (Enilconazole)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14Cl2N2O
CH$EXACT_MASS: 296.04832
CH$SMILES: C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl
CH$IUPAC: InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
CH$LINK: CAS
35554-44-0
CH$LINK: CHEMSPIDER
34116
CH$LINK: INCHIKEY
PZBPKYOVPCNPJY-UHFFFAOYSA-N
AC$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 297.0555949554
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0aor-5900000000-0ad2c94b0a4cd93de86a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
54.033826 1.913026 19
55.054227 2.16298 21
67.041651 3.482604 34
68.049476 1.346186 13
69.044725 54.214695 541
80.049476 1.807142 18
81.044725 22.989483 229
82.054379 6.979438 69
89.038577 1.699979 16
98.999604 1.260602 12
101.038577 1.645367 16
102.046402 3.773273 37
103.054227 1.806979 18
109.076025 4.797593 47
115.054227 2.51166 25
122.999604 7.999797 79
124.005599 2.116103 21
128.062052 1.030711 10
129.069877 3.713847 37
137.015254 3.395091 33
138.021249 3.613663 36
141.069877 12.827637 128
149.015254 1.683099 16
150.021249 1.819861 18
158.976282 100 999
164.0369 1.110778 11
172.990102 13.589426 135
175.029075 1.426992 14
176.0369 5.305808 53
255.008645 1.387766 13
//