MassBank Record: MSBNK-Waters-WA001662
ACCESSION: MSBNK-Waters-WA001662
RECORD_TITLE: Diphenydramine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Diphenydramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H21NO
CH$EXACT_MASS: 255.16231
CH$SMILES: CN(C)CCOC(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
CH$LINK: CAS
58-73-1
CH$LINK: INCHIKEY
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022949
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.050 min
AC$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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-593e21b78865ad56874f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
128 20 20
141 27 27
151 16 16
152 999 999
153 98 98
165 858 858
166 345 345
167 928 928
168 94 94
169 16 16
179 8 8
//