MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007138
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007138
RECORD_TITLE: O-METHYLACETOPHENONE; 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$NAME: O-METHYLACETOPHENONE
CH$NAME: 2-METHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: CC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
CH$LINK: CAS
577-16-2
CH$LINK: INCHIKEY
YXWWHNCQZBVZPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60862222
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$SPLASH: splash10-014l-9500000000-bee0213182674ae55581
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 3 30
27 2.6 26
38 2.35 24
39 19.01 190
41 2.6 26
42 1.19 12
43 20.75 208
46 1.58 16
50 5.96 60
51 10.25 103
52 1.81 18
53 1.09 11
61 1.29 13
62 3.74 37
63 14.07 141
64 2.91 29
65 27.66 277
66 2.1 21
74 1.62 16
75 1.4 14
77 3.99 40
78 1.03 10
79 1.13 11
89 9.4 94
90 3.45 35
91 99.28 993
92 7.76 78
103 1.19 12
115 1.31 13
119 99.99 999
120 8.51 85
134 47.25 473
135 3.73 37
//
system version 2.2.6-SNAPSHOT