ACCESSION: MSBNK-Waters-WA002006
RECORD_TITLE: Milnacipran,-paramethyl; 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$NAME: Milnacipran,-paramethyl
CH$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 45 V

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

PK$SPLASH: splash10-0006-0390000000-2b4dd7853629fcaa4de0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  131 16 16
  143 274 274
  144 24 24
  145 98 98
  160 16 16
  171 59 59
  173 20 20
  188 20 20
  216 90 90
  244 999 999
  245 141 141
  261 71 71
//