MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008422
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008422
RECORD_TITLE: PARA-NONYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-NONYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O
CH$EXACT_MASS: 220.18272
CH$SMILES: CCCCCCCCCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
CH$LINK: INCHIKEY
IGFHQQFPSIBGKE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5033836
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000i-2900000000-7a162fc7755b07f777e5
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 2.8 28
29 7.52 75
39 3.4 34
41 15.24 152
43 8.26 83
55 8.82 88
57 3.66 37
65 2.25 23
77 6.55 66
91 5.49 55
94 0.99 10
95 4.47 45
103 1.82 18
105 1.32 13
107 51.17 512
108 3.09 31
115 1.35 14
119 2.84 28
120 1.77 18
121 49.27 493
122 4.77 48
133 1.78 18
134 4.28 43
135 99.99 999
136 10.07 101
147 0.58 6
149 34.4 344
150 3.54 35
163 9.4 94
164 0.48 5
177 5.03 50
191 5.53 55
206 0.92 9
220 7.25 73
221 0.42 4
//
system version 2.2.6-SNAPSHOT