MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011771
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011771
RECORD_TITLE: META-METHOXYACETOPHENONE; 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$NAME: META-METHOXYACETOPHENONE
CH$NAME: META-ACETYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: COc(c1)cc(cc1)C(C)=O
CH$IUPAC: InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
CH$LINK: COMPTOX
DTXSID10207321
CH$LINK: INCHIKEY
BAYUSCHCCGXLAY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11460
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$SPLASH: splash10-0f79-6900000000-9fa2d0bc92f056e89b2b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
29 1.7 17
38 3 30
39 3.2 32
42 1.77 18
43 18.67 187
50 5.77 58
51 4.78 48
52 1.64 16
53 1.62 16
62 3.45 35
63 12.24 122
64 12.4 124
65 3.94 39
74 3.23 32
75 2.5 25
76 5.26 53
77 29.42 294
78 5.6 56
79 2.55 26
91 2.46 25
92 22.58 226
93 1.81 18
107 33.69 337
108 2.89 29
120 1 10
135 99.99 999
136 6.72 67
150 58.52 585
151 4.58 46
//