MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007139
RECORD_TITLE: M-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$NAME: M-METHYLACETOPHENONE
CH$NAME: 3-METHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: CC(=O)c(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
CH$LINK: CAS
585-74-0
CH$LINK: COMPTOX
DTXSID5074717
CH$LINK: INCHIKEY
FSPSELPMWGWDRY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11455
AC$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-f84759bf57ca8e059fc2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.69 27
27 2.13 21
38 2.3 23
39 16.58 166
41 2.69 27
42 1.31 13
43 18.52 185
46 1.17 12
50 4.72 47
51 8.46 85
52 1.52 15
59 1.02 10
61 1.1 11
62 3.57 36
63 13.17 132
64 2.68 27
65 25.32 253
66 1.17 12
74 1.41 14
75 1.12 11
77 2.48 25
89 8.84 88
90 3.36 34
91 89.49 895
92 7.43 74
119 99.99 999
120 8.59 86
134 37.1 371
135 3.03 30
//