MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007030
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007030
RECORD_TITLE: CUMINYL ALCOHOL; 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$NAME: CUMINYL ALCOHOL
CH$NAME: 4-(1-METHYLETHYL)BENZENEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: OCc(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
CH$LINK: INCHIKEY
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021626
AC$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: splash10-0kbr-6900000000-b8aff71f0bcacbaf724d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
15 1.39 14
18 2.32 23
27 9.06 91
28 1.94 19
29 4.58 46
31 8.05 81
39 11.72 117
40 1.09 11
41 11.44 114
43 8.6 86
50 3.73 37
51 12.33 123
52 2.44 24
53 3.06 31
55 1.22 12
60 2.03 20
62 1.61 16
63 5.77 58
64 1.54 15
65 7.22 72
66 1.66 17
67 1.87 19
74 1.54 15
75 1.81 18
76 1.68 17
77 24.64 246
78 7.64 76
79 39.82 398
80 2.29 23
89 3.02 30
91 31.35 314
92 3.08 31
93 1.79 18
102 1.97 20
103 9.03 90
104 2.52 25
105 44.15 442
106 3.52 35
107 35.61 356
108 2.5 25
115 7.11 71
116 1.6 16
117 11.8 118
118 2.63 26
119 26.01 260
120 3.08 31
121 1.75 18
132 1.34 13
133 2.66 27
134 1.44 14
135 99.99 999
136 9.93 99
149 1.49 15
150 48.05 481
151 4.52 45
//