MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004705
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004705
RECORD_TITLE: 1,3,5-TRIISOPROPYLBENZENE; 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$NAME: 1,3,5-TRIISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)c(c1)cc(C(C)C)cc(C(C)C)1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
CH$LINK: CAS
717-74-8
CH$LINK: INCHIKEY
VUMCUSHVMYIRMB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041232
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-000l-2910000000-01f6f06b484cc7a176a4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
43 30.47 305
51 1.05 11
53 1.35 14
65 1.77 18
71 1.05 11
73 1.02 10
77 2.86 29
78 1.17 12
79 4.23 42
87 6.45 65
91 15.14 151
92 1.3 13
103 1.29 13
105 13.4 134
106 1.25 13
115 3.23 32
116 1.83 18
117 3.48 35
119 5.74 57
128 2.63 26
129 2.34 23
130 1.03 10
131 3.06 31
133 5.99 60
145 2.47 25
147 4.09 41
161 43.82 438
162 6.04 60
173 2.23 22
189 99.99 999
190 15.48 155
191 1.15 12
204 31.05 311
205 5.31 53
//