MassBank Record: MSBNK-Waters-WA001004
ACCESSION: MSBNK-Waters-WA001004
RECORD_TITLE: Ephedrine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Ephedrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NO
CH$EXACT_MASS: 165.11536
CH$SMILES: CNC(C)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
CH$LINK: CAS
299-42-3
CH$LINK: INCHIKEY
KWGRBVOPPLSCSI-WPRPVWTQSA-N
CH$LINK: COMPTOX
DTXSID0022985
AC$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$CHROMATOGRAPHY: RETENTION_TIME 7.370 min
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-e4f52c0910aab043033e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
102 12 12
103 98 98
104 223 223
105 110 110
106 27 27
107 8 8
115 999 999
116 184 184
117 443 443
118 176 176
119 12 12
130 141 141
131 16 16
132 556 556
133 188 188
134 16 16
148 55 55
166 59 59
//
system version 2.2.6-SNAPSHOT