MassBank Record: MSBNK-Waters-WA001082
ACCESSION: MSBNK-Waters-WA001082
RECORD_TITLE: Milnacipran; 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$NAME: Milnacipran
CH$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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0fb9-0910000000-94d9a7165d3a6b1daca2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
100 423 423
101 20 20
103 74 74
104 35 35
105 24 24
112 20 20
115 20 20
116 43 43
117 71 71
124 27 27
128 168 168
129 999 999
130 71 71
131 376 376
132 39 39
144 16 16
145 31 31
146 27 27
155 20 20
157 59 59
158 35 35
159 20 20
172 12 12
174 20 20
186 16 16
200 27 27
201 16 16
202 208 208
203 24 24
230 129 129
231 16 16
247 39 39
//