MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004950
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004950
RECORD_TITLE: 1,1-DICHLORO-4-PHENYL-2-BUTANOL; 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$NAME: 1,1-DICHLORO-4-PHENYL-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12Cl2O
CH$EXACT_MASS: 218.02652
CH$SMILES: ClC(Cl)C(O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12Cl2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
CH$LINK: INCHIKEY
AVSJCXYYYDSTTG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:21705698
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$SPLASH: splash10-0006-9600000000-5f0243cc4ae7922a4c0a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
49 1.23 12
65 7.17 72
68 1.43 14
83 2.16 22
85 1.94 19
89 1.33 13
91 99.99 999
92 22.39 224
104 17.67 177
105 1.99 20
117 26.57 266
118 3.42 34
125 10.18 102
129 5.56 56
135 3.5 35
143 1.67 17
146 4.1 41
147 6.15 62
174 2.65 27
182 8.31 83
183 1.65 17
184 3.18 32
218 6.07 61
219 1.23 12
220 4.27 43
222 1.16 12
//
system version 2.2.8-SNAPSHOT