ACCESSION: MSBNK-Waters-WA000513
RECORD_TITLE: Ecgoninemethylester; 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$NAME: Ecgoninemethylester
CH$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 45 V

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

PK$SPLASH: splash10-001i-5930000000-934beb73a8782773cb6d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  76 12 12
  82 654 654
  83 47 47
  84 31 31
  91 20 20
  93 47 47
  96 31 31
  100 35 35
  108 59 59
  119 43 43
  122 24 24
  124 35 35
  150 78 78
  151 12 12
  156 20 20
  168 39 39
  182 999 999
  183 98 98
  200 541 541
  201 51 51
//