MassBank Record: MSBNK-Waters-WA002861
ACCESSION: MSBNK-Waters-WA002861
RECORD_TITLE: 4-Methoxyamphetamine; 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$NAME: 4-Methoxyamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NO
CH$EXACT_MASS: 165.11536
CH$SMILES: COc(c1)ccc(CC(C)N)c1
CH$IUPAC: InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
CH$LINK: CAS
64-13-1
CH$LINK: INCHIKEY
NEGYEDYHPHMHGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7040578
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.400 min
AC$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: splash10-014i-0900000000-9dc88b217995aae0c1b5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
100 16 16
102 59 59
103 239 239
104 74 74
105 498 498
106 349 349
107 157 157
108 47 47
109 16 16
111 12 12
113 27 27
115 893 893
116 67 67
117 102 102
118 979 979
119 204 204
121 999 999
122 43 43
130 43 43
131 35 35
132 90 90
133 43 43
134 59 59
135 12 12
144 16 16
147 8 8
149 145 145
160 8 8
166 157 157
//
system version 2.2.6-SNAPSHOT