MassBank Record: MSBNK-Waters-WA000510
ACCESSION: MSBNK-Waters-WA000510
RECORD_TITLE: Ecgoninemethylester; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-9000000000-2eb280140b299c1a4f10
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
77 20 20
79 63 63
80 59 59
81 51 51
82 999 999
83 141 141
84 59 59
91 165 165
92 12 12
93 35 35
94 235 235
95 43 43
96 43 43
97 16 16
100 16 16
106 12 12
107 16 16
108 24 24
118 12 12
119 12 12
122 20 20
//
system version 2.2.6-SNAPSHOT