MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010799
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010799
RECORD_TITLE: TRIMETHYLHYDROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: TRIMETHYLHYDROQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O2
CH$EXACT_MASS: 152.08373
CH$SMILES: Cc(c1)c(O)c(C)c(C)c(O)1
CH$IUPAC: InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
CH$LINK: INCHIKEY
AUFZRCJENRSRLY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7052446
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0udi-4900000000-53197de66212fda82cde
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
41 5.11 51
43 6.08 61
50 2.91 29
51 6.68 67
52 3.69 37
53 9.17 92
54 10.75 108
55 3.77 38
62 1.15 12
63 1.89 19
65 3.2 32
66 2.35 24
67 5.31 53
68 17.33 173
69 5.94 59
75 1.25 13
76 5.1 51
77 8.18 82
78 2.27 23
79 16.38 164
80 1.88 19
81 2.69 27
82 3.38 34
83 1.43 14
91 6.42 64
93 3.89 39
94 3.93 39
95 1.98 20
96 8.37 84
103 1.01 10
105 1.85 19
107 19.27 193
108 3.52 35
109 8.56 86
110 2.06 21
119 2.28 23
121 6.97 70
122 11.59 116
123 5.32 53
124 1.19 12
133 2.74 27
134 1.62 16
135 6.9 69
137 50.64 506
138 4.75 48
150 56.87 569
151 29.63 296
152 99.99 999
153 10.34 103
//