MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012103
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012103
RECORD_TITLE: HEXAPHENYLETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: HEXAPHENYLETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C38H30
CH$EXACT_MASS: 486.23475
CH$SMILES: C(C(c(c6)cccc6)(c(c5)cccc5)c(c4)cccc4)(c(c3)cccc3)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C38H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
CH$LINK: INCHIKEY
IPOBVSHPVYWJQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:519482
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-05ox-5970000000-9c7102ed7e93fa9f34f6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
39 9.6 96
50 6.4 64
51 27.5 275
63 4.4 44
65 7.2 72
76 4.5 45
77 81.1 811
78 8.2 82
91 3.2 32
94 4.5 45
105 66 660
106 5.7 57
115 5.9 59
139 5 50
152 8.3 83
153 8 80
154 3.4 34
163 4 40
164 5.4 54
165 73.2 732
166 28.5 285
167 11.2 112
181 5.5 55
182 5.9 59
215 7.2 72
216 6.3 63
228 3.8 38
241 5.2 52
242 3.7 37
243 99.99 999
244 24.7 247
259 30.4 304
260 7.3 73
//
system version 2.2.8-SNAPSHOT