MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010307
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010307
RECORD_TITLE: PHTHALIMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY
XKJCHHZQLQNZHY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026514
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0ufr-9500000000-5c5173e2a83219dfd6be
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
26 3.04 30
27 2.71 27
29 2.05 21
30 1.42 14
37 6 60
38 8.02 80
39 3.77 38
42 1.1 11
43 13.83 138
44 3.04 30
45 1.27 13
49 4.15 42
50 34.96 350
51 3.64 36
52 3.89 39
53 2.59 26
59 1.95 20
61 2.61 26
62 2.33 23
63 4.59 46
64 3.03 30
65 1.01 10
66 3.47 35
70 2.1 21
73 5.63 56
74 24.77 248
75 22.09 221
76 99.99 999
77 9.42 94
90 4.12 41
91 1.31 13
92 2.83 28
102 1.06 11
103 40.16 402
104 72.51 725
105 5.31 53
122 1.72 17
147 54.66 547
148 6.15 62
150 1.23 12
//