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
//