MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009600
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009600
RECORD_TITLE: METHYL 2-NAPHTHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 2-NAPHTHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O
CH$EXACT_MASS: 170.07316
CH$SMILES: CC(=O)c(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
CH$LINK: INCHIKEY
XSAYZAUNJMRRIR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2041389
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-004j-2900000000-78879a4ce433795813fc
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 2.2 22
28 7.5 75
29 1 10
32 0.18 2
38 1 10
39 3.8 38
42 3.7 37
43 2.69 27
50 4.7 47
51 7.1 71
52 1.2 12
62 0.27 3
63 8.5 85
64 3.7 37
74 6.8 68
75 0.97 10
76 5 50
77 12.9 129
78 2 20
86 0.18 2
87 3.8 38
89 1.8 18
98 2.3 23
99 0.22 2
100 2.1 21
101 9.7 97
102 2.2 22
115 0.51 5
125 1.7 17
126 24.3 243
127 99.99 999
128 1.5 15
139 3 30
141 2.6 26
145 84.7 847
146 1.07 11
170 33.2 332
171 4.5 45
//
system version 2.2.8-SNAPSHOT