MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004025
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004025
RECORD_TITLE: PARA-METHYLPHENETOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHYLPHENETOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: CCOc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
WSWPHHNIHLTAHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060756
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a6r-9700000000-691ea572acc526dd1b87
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 6.5 65
27 28.1 281
28 3 30
29 0.11 1
39 11.6 116
40 1.2 12
42 2.1 21
44 0.14 1
50 6 60
51 12.5 125
52 7.9 79
53 0.79 8
55 1 10
62 2 20
63 5.2 52
64 0.09 1
65 8.2 82
66 1 10
75 0.8 8
76 0.09 1
77 23.1 231
78 8.5 85
79 14.2 142
80 0.84 8
81 1.3 13
89 1.5 15
90 8.5 85
91 0.81 8
92 1.9 19
93 1.7 17
106 5.5 55
107 9.27 93
108 99.99 999
109 7.1 71
121 1.2 12
136 4.8 48
137 4 40
//
system version 2.2.6-SNAPSHOT