MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006334
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006334
RECORD_TITLE: O-HYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: O-HYDROXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
CH$LINK: INCHIKEY
JECYUBVRTQDVAT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7040285
AC$INSTRUMENT: HITACHI RMU-7L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9700000000-721a4c1cfd24489043f3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
43 19.5 195
44 3.3 33
49 1.9 19
50 0.68 7
51 9 90
52 3.5 35
53 10 100
54 0.35 4
55 5 50
61 5.5 55
62 8.2 82
63 1.45 15
64 7.5 75
65 35.5 355
66 9.5 95
75 0.47 5
76 4 40
77 9.5 95
78 4.5 45
79 0.4 4
80 5.5 55
81 4 40
89 3.8 38
90 0.48 5
91 3.5 35
92 5.5 55
93 27.2 272
94 0.95 10
95 4 40
104 1 10
105 4.5 45
106 0.1 1
107 4.5 45
121 99.99 999
122 10.5 105
123 0.1 1
136 44 440
137 6.5 65
//
system version 2.2.6-SNAPSHOT