ACCESSION: MSBNK-Waters-WA000510
RECORD_TITLE: Ecgoninemethylester; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ecgoninemethylester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO₃
CH$EXACT_MASS: 199.12084
CH$SMILES: COC(=O)C(C(O)1)C(C2)N(C)C(C2)C1
CH$IUPAC: InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
CH$LINK: CAS 7143-09-1
CH$LINK: INCHIKEY QIQNNBXHAYSQRY-UYXSQOIJSA-N
CH$LINK: COMPTOX DTXSID00891435

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 2.420 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 90 V

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

PK$SPLASH: splash10-001i-9000000000-2eb280140b299c1a4f10
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  77 20 20
  79 63 63
  80 59 59
  81 51 51
  82 999 999
  83 141 141
  84 59 59
  91 165 165
  92 12 12
  93 35 35
  94 235 235
  95 43 43
  96 43 43
  97 16 16
  100 16 16
  106 12 12
  107 16 16
  108 24 24
  118 12 12
  119 12 12
  122 20 20
//