MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008572
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008572
RECORD_TITLE: PENTYL BENZENE; 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$NAME: PENTYL BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16
CH$EXACT_MASS: 148.12520
CH$SMILES: CCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
CH$LINK: INCHIKEY
PWATWSYOIIXYMA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022054
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$SPLASH: splash10-0006-9100000000-2d0366b3b374b5ee38c0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 5.65 57
29 6.77 68
39 7.3 73
41 8.33 83
43 1.09 11
50 1.52 15
51 4.29 43
52 1.34 13
57 2.54 25
63 2.45 25
65 12.89 129
77 5.39 54
78 5.75 58
79 2.62 26
89 2.13 21
90 1.26 13
91 99.99 999
92 66.52 665
93 4.25 43
103 2.4 24
104 1.8 18
105 8.06 81
106 1.66 17
115 1.47 15
117 1.14 11
119 1.43 14
133 1.49 15
148 23.23 232
149 2.29 23
//
system version 2.2.8-SNAPSHOT