MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004719
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004719
RECORD_TITLE: PHENANTHRENE; 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$NAME: PHENANTHRENE
CH$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: 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: splash10-004i-2900000000-07a5e1d9cbbd4196ce30
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
63 2.7 27
74 1.25 13
75 3.57 36
76 12.66 127
77 1.33 13
87 1.87 19
88 10.11 101
89 13.28 133
90 1.92 19
119 2.81 28
126 1.09 11
150 3.53 35
151 6.29 63
152 5.93 59
174 1.62 16
175 2.29 23
176 15.53 155
177 9.89 99
178 99.99 999
179 15.96 160
180 1.23 12
//
system version 2.2.8-SNAPSHOT