MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004588
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004588
RECORD_TITLE: 5-(PARA-PHENOXYPHENYL)PENTANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5-(PARA-PHENOXYPHENYL)PENTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H18O2
CH$EXACT_MASS: 254.13068
CH$SMILES: O=CCCCCc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C17H18O2/c18-14-6-2-3-7-15-10-12-17(13-11-15)19-16-8-4-1-5-9-16/h1,4-5,8-14H,2-3,6-7H2
CH$LINK: INCHIKEY
PTCVKJYCZZJKTC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:85520947
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-001i-5920000000-f1d304356981df1746b8
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
39 6.06 61
41 3.47 35
43 1.54 15
50 2.76 28
51 15.9 159
52 2.07 21
53 1.42 14
55 2.45 25
63 2.74 27
64 1.42 14
65 4.62 46
71 1.37 14
75 1.04 10
76 1.91 19
77 33.99 340
78 5 50
79 1.03 10
89 3.83 38
90 2.65 27
91 8.96 90
92 1.1 11
103 2.02 20
104 1.98 20
107 11.75 118
108 1.1 11
115 6.98 70
116 3.97 40
117 4.96 50
127 1.96 20
128 2.84 28
129 2.9 29
133 1.12 11
141 1.39 14
143 1.19 12
152 1.42 14
153 2.71 27
154 1.84 18
155 4.26 43
165 1.26 13
170 1.26 13
181 1.59 16
183 99.99 999
184 18.06 181
185 1.7 17
196 1.95 20
197 1.5 15
209 2.35 24
210 1.75 18
254 35.47 355
255 7.16 72
//