MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001544
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001544
RECORD_TITLE: TERT-PENTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TERT-PENTYLBENZENE
CH$NAME: (1.1-DIMETHYLPROPYL)BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16
CH$EXACT_MASS: 148.12520
CH$SMILES: CCC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
CH$LINK: INCHIKEY
QHTJSSMHBLGUHV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7051848
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-014l-8900000000-725fcbc7b1c28745e130
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 4.91 49
29 3.83 38
39 7.63 76
41 16.16 162
43 1.49 15
50 1.98 20
51 6.07 61
52 1.57 16
53 1.8 18
55 4.19 42
63 2.21 22
65 4.01 40
75 1.04 10
76 1.1 11
77 9.38 94
78 4.36 44
79 8.4 84
91 57.37 574
92 4.7 47
102 1.39 14
103 5.09 51
104 1.8 18
105 6.25 63
115 4.01 40
116 1.22 12
117 3.25 33
118 2.35 24
119 99.99 999
120 10.2 102
133 3.01 30
148 16.86 169
149 2.15 22
//