MassBank Record: MSBNK-Waters-WA001083
ACCESSION: MSBNK-Waters-WA001083
RECORD_TITLE: Milnacipran; 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$NAME: Milnacipran
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22N2O
CH$EXACT_MASS: 246.17321
CH$SMILES: CCN(CC)C(=O)C(c(c2)cccc2)(C1)C(CN)1
CH$IUPAC: InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
CH$LINK: CAS
92623-85-3
CH$LINK: INCHIKEY
GJJFMKBJSRMPLA-DZGCQCFKSA-N
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 12.330 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$SPLASH: splash10-0ue9-0950000000-a520aa961a9440339f97
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
100 999 999
101 47 47
112 20 20
117 35 35
124 16 16
129 419 419
130 24 24
131 180 180
132 12 12
146 31 31
157 118 118
158 16 16
159 31 31
174 20 20
186 16 16
201 16 16
202 192 192
203 24 24
230 889 889
231 121 121
247 43 43
//