ACCESSION: MSBNK-Waters-WA002004
RECORD_TITLE: Milnacipran,-paramethyl; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0900000000-0996170598ad3a576e4a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  115 125 125
  117 243 243
  118 86 86
  119 27 27
  124 35 35
  127 16 16
  128 999 999
  129 149 149
  130 172 172
  131 63 63
  132 12 12
  141 43 43
  142 12 12
  143 564 564
  144 67 67
  145 317 317
  146 43 43
  155 35 35
  156 16 16
  158 31 31
  159 16 16
  160 20 20
  168 31 31
  171 24 24
  172 35 35
  173 12 12
  186 24 24
  188 16 16
  200 16 16
  214 39 39
  216 102 102
  244 59 59
  261 39 39
//