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
//