MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011917
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011917
RECORD_TITLE: PHTHALIMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHTHALIMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5NO2
CH$EXACT_MASS: 147.03203
CH$SMILES: C1=CC=C2C(=C1)C(=O)NC2=O
CH$IUPAC: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
CH$LINK: CAS
85-41-6
CH$LINK: NIKKAJI
J4.918B
CH$LINK: INCHIKEY
XKJCHHZQLQNZHY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026514
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0ufs-9800000000-e9a94eb343ce2dbdbd59
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
18 3.5 35
26 1.2 12
27 1.11 11
28 10.03 100
32 2.33 23
37 7.06 71
38 7.29 73
39 2.75 28
43 5.53 55
44 1.38 14
46 1.4 14
49 3.57 36
50 41.55 416
51 3.91 39
52 2.94 29
53 1.81 18
59 1.21 12
61 2.14 21
62 2.04 20
63 3.58 36
64 2.71 27
66 3.62 36
70 1.29 13
73 5.04 50
74 21.79 218
75 16.79 168
76 84.03 840
77 7.77 78
90 3.33 33
91 1.35 14
92 1.98 20
103 38.14 381
104 73.14 731
105 5.98 60
139 1.11 11
147 99.99 999
148 9.49 95
//