MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010813
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010813
RECORD_TITLE: PHENANTHRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$LINK: COMPTOX
DTXSID6024254
CH$LINK: INCHIKEY
YNPNZTXNASCQKK-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:995
AC$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-3900000000-2f361f4cb19325d97e63
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
51 1.15 12
62 1.12 11
63 3.67 37
74 1.57 16
75 4.75 48
76 16.54 165
87 2.17 22
88 12.31 123
89 16.44 164
126 1.12 11
139 1.05 11
150 3.73 37
151 6.6 66
152 6.45 65
174 1.62 16
175 2.22 22
176 15.32 153
177 9.08 91
178 99.99 999
179 15.92 159
180 1.34 13
184 1.24 12
//
system version 2.2.8-SNAPSHOT