MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000085
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000085
RECORD_TITLE: PARA IODOTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA IODOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7I
CH$EXACT_MASS: 217.95924
CH$SMILES: Cc(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY
UDHAWRUAECEBHC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060785
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-9070000000-e91849950bd42b3b6eae
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
38 1.56 16
39 8.2 82
41 1.46 15
50 4.39 44
51 3.41 34
61 1.02 10
62 2.93 29
63 7.8 78
64 2.2 22
65 24.39 244
74 1.07 11
89 7.32 73
90 4.88 49
91 55.61 556
92 4 40
127 0.83 8
128 0.49 5
217 2.44 24
218 99.99 999
219 7.32 73
//
system version 2.2.6-SNAPSHOT