MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009117
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009117
RECORD_TITLE: TERT-PENTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: TERT-PENTYLBENZENE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-8900000000-a9bc879220822760a7a7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 5.22 52
28 1.41 14
29 4.31 43
39 5.81 58
41 14.89 149
43 1.4 14
50 2.03 20
51 5.29 53
52 1.57 16
53 1.59 16
55 3.14 31
63 2.28 23
65 3.4 34
76 1.18 12
77 8.23 82
78 4.5 45
79 7.01 70
89 1.22 12
91 63.99 640
92 4.23 42
102 1.31 13
103 5.72 57
104 2.02 20
105 3.57 36
115 4.67 47
116 1.27 13
117 3.23 32
118 2.31 23
119 99.99 999
120 8.76 88
133 2.29 23
148 13.62 136
149 1.35 14
//