MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008567
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008567
RECORD_TITLE: ORTHO-HYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-HYDROXYACETOPHENONE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dr-7900000000-46e56b157939e4c29b8b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 2.59 26
27 2.03 20
29 1.37 14
37 1.61 16
38 4.58 46
39 19.01 190
40 1.16 12
42 1.44 14
43 17.07 171
50 4.02 40
51 4.92 49
52 1.23 12
53 5.44 54
61 1.39 14
62 3.46 35
63 8.23 82
64 4.2 42
65 25.19 252
66 2.98 30
74 1.29 13
77 3.65 37
89 1.17 12
90 1.3 13
92 2.39 24
93 19.04 190
94 2.19 22
121 99.99 999
122 7.52 75
136 48.98 490
137 4.45 45
//