MassBank Record: MSBNK-Waters-WA002593
ACCESSION: MSBNK-Waters-WA002593
RECORD_TITLE: Mecoprop; LC-ESI-Q; MS; NEG; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Mecoprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11ClO3
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS
7085-19-0
CH$LINK: INCHIKEY
WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9024194
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.340 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-25c3fc68e1662b1243ce
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
105 141 141
106 12 12
121 51 51
122 16 16
132 12 12
133 12 12
141 999 999
142 74 74
143 309 309
144 24 24
154 20 20
161 12 12
163 16 16
169 114 114
171 31 31
213 47 47
215 20 20
//