MassBank Record: MSBNK-Waters-WA002005
ACCESSION: MSBNK-Waters-WA002005
RECORD_TITLE: Milnacipran,-paramethyl; 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$NAME: Milnacipran,-paramethyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24N2O
CH$EXACT_MASS: 260.18886
CH$SMILES: CCN(CC)C(=O)C(c(c2)ccc(C)c2)(C1)C(CN)1
CH$IUPAC: InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3/t14-,16+/m0/s1
CH$LINK: INCHIKEY
FWSXXKQITHMJAY-GOEBONIOSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.250 min
AC$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: splash10-0006-0920000000-7a7cb1d175de5291decd
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
115 31 31
117 106 106
118 12 12
119 24 24
124 43 43
128 341 341
129 35 35
130 51 51
131 71 71
141 12 12
143 999 999
144 74 74
145 411 411
146 39 39
152 16 16
155 12 12
158 12 12
159 12 12
160 39 39
171 86 86
172 27 27
173 31 31
176 16 16
188 20 20
200 16 16
214 35 35
215 12 12
216 243 243
217 31 31
244 407 407
245 55 55
261 35 35
//