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) \n

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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 7143-09-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.420 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //