MassBank Record: MSBNK-Waters-WA000512
ACCESSION: MSBNK-Waters-WA000512
RECORD_TITLE: Ecgoninemethylester; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-9400000000-03ead4ce2c128635d88f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
79 16 16
82 999 999
83 102 102
84 59 59
91 102 102
93 90 90
94 47 47
96 78 78
97 12 12
100 71 71
108 78 78
109 16 16
118 12 12
119 82 82
122 63 63
124 27 27
150 59 59
154 24 24
182 227 227
183 24 24
200 27 27
//
system version 2.2.6-SNAPSHOT