MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005940
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005940
RECORD_TITLE: PARA-PHENETIDINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-PHENETIDINE
CH$NAME: 4-ETHOXYBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY
IMPPGHMHELILKG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0025864
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-052r-1900000000-283eca514bab21cf118a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
80 21.26 213
81 3.52 35
92 1.82 18
108 47.89 479
109 40.8 408
110 5.26 53
136 1.44 14
137 99.99 999
138 23.08 231
139 1.73 17
//
system version 2.2.8-SNAPSHOT