MassBank Record: MSBNK-Waters-WA002883
ACCESSION: MSBNK-Waters-WA002883
RECORD_TITLE: DOM; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: DOM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H19NO2
CH$EXACT_MASS: 209.14158
CH$SMILES: COc(c1)c(C)cc(OC)c(CC(C)N)1
CH$IUPAC: InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
CH$LINK: CAS
15588-95-1
CH$LINK: INCHIKEY
NTJQREUGJKIARY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50860611
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.300 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00mo-0900000000-18c47887966f45028007
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
105 51 51
107 12 12
119 8 8
121 8 8
123 8 8
131 8 8
133 20 20
135 133 133
136 12 12
137 63 63
146 16 16
147 8 8
151 12 12
152 86 86
153 24 24
161 67 67
162 16 16
163 121 121
165 784 784
166 63 63
176 12 12
178 646 646
179 55 55
193 999 999
194 114 114
195 8 8
210 51 51
//