MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004925
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004925
RECORD_TITLE: BENZOTRIFLUORIDE; 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$NAME: BENZOTRIFLUORIDE
CH$NAME: ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5F3
CH$EXACT_MASS: 146.03433
CH$SMILES: FC(F)(F)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
CH$LINK: CAS
98-08-8
CH$LINK: INCHIKEY
GETTZEONDQJALK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2024589
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0002-3900000000-6ab7cc3d0490f1660a2a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
50 5.98 60
51 9.32 93
57 1.35 14
63 1.72 17
69 2.36 24
70 1.35 14
73 2.04 20
74 2.68 27
75 5.48 55
76 1.58 16
77 11.34 113
95 3.53 35
96 28.47 285
97 1.99 20
99 1.36 14
125 2.95 30
126 2.42 24
127 35.14 351
128 2.74 27
145 40.97 410
146 99.99 999
147 7.8 78
//