MassBank Record: MSBNK-Waters-WA000511
ACCESSION: MSBNK-Waters-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
//
system version 2.2.6-SNAPSHOT