MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000197
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000197
RECORD_TITLE: ORTHO METHYL ACETOPHENONE; 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$NAME: ORTHO METHYL ACETOPHENONE
CH$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$LINK: INCHIKEY
YXWWHNCQZBVZPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60862222
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014o-9600000000-8e7473021b55eeb933c5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 1.87 19
38 1.35 14
39 11.58 116
41 3.02 30
43 15.32 153
45.5 1.87 19
50 3.15 32
51 6.44 64
52 1.22 12
62 2.7 27
63 7.66 77
64 1.8 18
65 23.1 231
66 2.25 23
77 3.41 34
89 6.18 62
90 2.57 26
91 99.99 999
92 7.92 79
103 1 10
105 1 10
115 1.42 14
119 92.21 922
120 8.3 83
134 29.47 295
135 3.02 30
//