ACCESSION: MSBNK-Waters-WA002862
RECORD_TITLE: 4-Methoxyamphetamine; LC-ESI-Q; MS; POS; 60 V, 75 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 60 V, 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0900000000-23539ef40dde3b4c2d42
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  105 20 20
  106 20 20
  107 8 8
  108 27 27
  109 74 74
  115 47 47
  117 16 16
  118 43 43
  119 55 55
  121 999 999
  122 51 51
  132 24 24
  133 8 8
  134 47 47
  149 35 35
  166 12 12
//