MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005647
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005647
RECORD_TITLE: CUMIC ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: CUMIC ALCOHOL
CH$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: CAS
536-60-7
CH$LINK: INCHIKEY
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021626
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pvr-3900000000-c32a1e404d8621266f63
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
29 4.06 41
31 4.18 42
41 7.6 76
43 19.44 194
58 1.02 10
59 1.98 20
77 10.58 106
79 68.82 688
80 3.53 35
91 37.82 378
92 5.14 51
93 4.1 41
103 5.36 54
105 61.15 612
106 5.42 54
107 77.68 777
108 7.28 73
115 3.22 32
116 1.01 10
117 22.34 223
118 3.02 30
119 60.75 608
120 9.48 95
121 4.66 47
132 2.64 26
133 6.12 61
134 2.47 25
135 99.99 999
136 23.25 233
149 1 10
150 75.36 754
151 13.02 130
//