MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011797
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011797
RECORD_TITLE: ORTHO-HYDROXYACETHOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-HYDROXYACETHOPHENONE
CH$NAME: 2-ACETYLPHENOL
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 M-80A
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: splash10-0fyc-9100000000-6aa38be570fc2e4c3c7e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 14.03 140
16 3.06 31
27 14.3 143
29 11.84 118
31 1.39 14
37 10.97 110
38 29.1 291
39 97.84 978
40 6.67 67
41 3.06 31
42 11.61 116
43 68.33 683
44 1.9 19
49 3.67 37
50 25.6 256
51 29.51 295
52 8.75 88
53 29.59 296
54 2.63 26
55 5.4 54
61 10.65 107
62 23.83 238
63 52.22 522
64 22.77 228
65 94.42 944
66 14.5 145
67 2.86 29
69 1.43 14
73 2.31 23
74 9.91 99
75 5.97 60
76 3.46 35
77 19.81 198
78 5.3 53
79 5.91 59
81 2.12 21
85 1.2 12
86 1.81 18
87 1.52 15
89 6.1 61
90 6.25 63
91 1.91 19
92 11.27 113
93 27.17 272
94 4.26 43
107 3.19 32
121 99.99 999
122 8.62 86
136 22.19 222
137 2.65 27
//