MassBank Record: MSBNK-Waters-WA000513
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
//