MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001596
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001596
RECORD_TITLE: PHENANTHRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: PHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c3)cc(c1)c(c3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
CH$LINK: CAS
85-01-8
CH$LINK: INCHIKEY
YNPNZTXNASCQKK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024254
AC$INSTRUMENT: VARIAN MAT-44
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: splash10-004i-8900000000-cde516a2b6fa8d9f3127
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
44 1.71 17
50 2.42 24
51 3 30
62 3.14 31
63 12.71 127
74 3.57 36
75 14.14 141
76 46.28 463
77 2.42 24
86 1 10
87 5.71 57
88 27.71 277
89 36 360
98 1 10
99 1 10
139 1.28 13
150 4.14 41
151 6.42 64
152 8.14 81
168 1.14 11
174 1.71 17
175 2.57 26
176 18.42 184
177 12.14 121
178 99.99 999
179 15.14 151
//
system version 2.2.8-SNAPSHOT