MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009483
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009483
RECORD_TITLE: 4-SEC-BUTYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-SEC-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CCC(C)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
CH$LINK: CAS
99-71-8
CH$LINK: INCHIKEY
ZUTYZAFDFLLILI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7022332
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-4900000000-10a3c41667e51f5a9cdb
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.04 10
26 1.01 10
27 7.31 73
28 1.76 18
29 5.73 57
39 6.43 64
41 3.17 32
50 1.12 11
51 3.11 31
52 1.05 11
53 2.14 21
55 2.28 23
63 2.49 25
65 5.84 58
66 1.68 17
77 13.67 137
78 2.3 23
79 1.62 16
89 1.11 11
91 11.67 117
92 2 20
93 4.26 43
95 1.06 11
103 8.66 87
105 1.06 11
107 12.42 124
108 1.18 12
119 2.06 21
120 4.97 50
121 99.99 999
122 9.02 90
135 3.77 38
150 19.65 197
151 2.16 22
//