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MassBank Record: WA000511

Ecgoninemethylester; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000511
RECORD_TITLE: Ecgoninemethylester; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-001i-9100000000-ef5ba33ea9df9db1b058
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  79 47 47
  80 16 16
  81 27 27
  82 999 999
  83 165 165
  84 71 71
  91 153 153
  93 74 74
  94 114 114
  95 31 31
  96 71 71
  97 20 20
  100 51 51
  107 16 16
  108 47 47
  118 12 12
  119 43 43
  122 43 43
  150 12 12
  154 12 12
  182 27 27
//

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