MassBank Record: MSBNK-AGILENT-AG000003
ACCESSION: MSBNK-AGILENT-AG000003
RECORD_TITLE: Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 297.0555949554
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4j-3970000000-7959205d39ac8511e1ea
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
69.044725 74.002051 739
81.044725 12.200788 121
82.065126 3.177985 31
109.076025 31.300547 312
141.069877 1.665287 16
149.015254 1.200135 11
150.023079 1.498087 14
158.976282 100 999
164.0369 2.581697 25
172.990102 22.927249 229
175.029075 3.60011 35
176.038729 30.977701 309
182.976282 1.110567 11
184.991932 7.043647 70
186.971197 2.56997 25
199.005752 5.007172 50
200.986847 39.920957 398
211.005752 5.269755 52
229.016317 1.308074 13
255.008645 40.332089 402
297.055595 96.50675 964
//