MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005628
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005628
RECORD_TITLE: O-AMINOACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: O-AMINOACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO
CH$EXACT_MASS: 135.06841
CH$SMILES: CC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
CH$LINK: INCHIKEY
GTDQGKWDWVUKTI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4052213
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00y3-8900000000-5b770b73f4fd1d3c31b6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
39 7.88 79
41 1 10
42 2.13 21
43 18.04 180
45 1.02 10
52 1.06 11
64 1.46 15
65 56.98 570
66 12.39 124
67 1.24 12
76 1.08 11
77 4.92 49
78 2.36 24
79 3.85 39
89 1 10
90 2.42 24
92 77.77 778
93 14.6 146
106 10.76 108
107 6.69 67
118 1.04 10
119 1.08 11
120 99.99 999
121 18.1 181
122 1.02 10
134 1.02 10
135 80.36 804
136 15.82 158
137 1 10
//
system version 2.2.6-SNAPSHOT