ACCESSION: MSBNK-Waters-WA000512
RECORD_TITLE: Ecgoninemethylester; 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$NAME: Ecgoninemethylester
CH$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 60 V

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

PK$SPLASH: splash10-001i-9400000000-03ead4ce2c128635d88f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  79 16 16
  82 999 999
  83 102 102
  84 59 59
  91 102 102
  93 90 90
  94 47 47
  96 78 78
  97 12 12
  100 71 71
  108 78 78
  109 16 16
  118 12 12
  119 82 82
  122 63 63
  124 27 27
  150 59 59
  154 24 24
  182 227 227
  183 24 24
  200 27 27
//