MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001690
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001690
RECORD_TITLE: ISOPROPENYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPENYLBENZENE
CH$NAME: ALPHA-METHYLSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10
CH$EXACT_MASS: 118.07825
CH$SMILES: CC(=C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
CH$LINK: INCHIKEY
XYLMUPLGERFSHI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025661
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-014i-6900000000-13e1647c84d252f25812
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 3.55 36
28 2.95 30
38 1.81 18
39 12.99 130
40 1.74 17
41 2.11 21
50 7.7 77
51 19.71 197
52 4.38 44
53 1.59 16
57 2.49 25
57.5 5.97 60
58 9.74 97
62 2.49 25
63 7.18 72
65 6.19 62
74 3.17 32
75 2.87 29
76 3.47 35
77 26.13 261
78 37.24 372
79 2.95 30
89 3.85 39
90 1.66 17
91 19.86 199
92 1.96 20
102 5.21 52
103 55.89 559
104 4.68 47
115 26.59 266
116 6.04 60
117 79.46 795
118 99.99 999
119 9.74 97
//