MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004038
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004038
RECORD_TITLE: ORTHO-ISOPROPYLPHENOL; 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$NAME: ORTHO-ISOPROPYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: CC(C)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
CH$LINK: INCHIKEY
CRBJBYGJVIBWIY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044391
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$SPLASH: splash10-00dr-9700000000-0a3ec6f0b6db49b1bb8c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
37 0.5 5
38 4.5 45
39 28 280
40 0.42 4
41 14.3 143
42 2.8 28
43 6.9 69
45 0.45 5
45.5 4 40
46 2.4 24
50 5 50
51 1.57 16
52 3 30
53 5.5 55
55 3.6 36
56 0.15 2
57 4 40
58 1.4 14
59 3.5 35
60 0.35 4
60.5 29.8 298
61 2 20
62 2 20
63 0.62 6
64 1.6 16
65 8.4 84
66 3 30
67 0.5 5
69 2 20
74 1.2 12
75 1.5 15
76 0.3 3
77 27.8 278
78 3.9 39
79 2 20
89 0.2 2
90 1.3 13
91 16.9 169
93 3.8 38
94 0.22 2
95 1.8 18
103 28.1 281
107 4.6 46
115 0.21 2
121 99.99 999
136 30.2 302
//