MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004063
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004063
RECORD_TITLE: ORTHO-SEC-BUTYLPHENOL; 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$NAME: ORTHO-SEC-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CCC(C)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
CH$LINK: INCHIKEY
NGFPWHGISWUQOI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2022331
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$SPLASH: splash10-00di-5900000000-68facb05fa0069d5a100
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 11.2 112
29 6.2 62
38 0.23 2
39 12 120
40 1.7 17
41 5 50
42 0.15 2
50 2.9 29
51 6.9 69
52 2.3 23
53 0.3 3
55 2.9 29
62 2.1 21
63 3.2 32
64 0.18 2
65 5 50
66 2.1 21
77 18.5 185
78 0.29 3
79 1.8 18
91 12.7 127
103 18.2 182
104 0.15 2
108 1.5 15
115 2 20
117 10.9 109
121 99.99 999
122 10 100
135 2.3 23
150 16.7 167
151 1.5 15
//