MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004029
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004029
RECORD_TITLE: PARA-ISOPROPYLANISOLE; 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$NAME: PARA-ISOPROPYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: COc(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
CH$LINK: INCHIKEY
JULZQKLZSNOEEJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60194292
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$SPLASH: splash10-000i-2900000000-2487623c1f4e3a3f4f91
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 1 10
39 3.1 31
41 1.9 19
50 0.1 1
51 2 20
53 1 10
63 2 20
64 0.1 1
65 4 40
68 1.2 12
77 6 60
78 0.16 2
79 5 50
89 1.2 12
91 10 100
92 0.25 3
94 1.1 11
103 6.7 67
104 1 10
105 1.55 16
106 1 10
107 4.1 41
108 2 20
109 0.1 1
115 1 10
117 0.8 8
119 3 30
120 0.45 5
121 2 20
122 1.6 16
128 1 10
131 0.1 1
133 1 10
134 4.1 41
135 99.99 999
136 1.02 10
144 1.5 15
145 4.5 45
146 2 20
147 0.11 1
148 1.6 16
150 27 270
151 3 30
160 1 10
//
system version 2.2.6-SNAPSHOT