MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005941
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005941
RECORD_TITLE: O-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$NAME: O-PHENETIDINE
CH$NAME: 2-ETHOXYBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY
ULHFFAFDSSHFDA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025863
AC$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-dd5bc66eb2922e81315a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
80 30.35 304
81 3.06 31
91 1.04 10
92 2.71 27
93 1.66 17
94 1.03 10
108 37.96 380
109 27.93 279
110 5.14 51
136 2.06 21
137 99.99 999
138 22.21 222
139 1.82 18
//