1,4-CYCLOHEXANEDIONE; EI-B; MS

Computational Annotation of MS Peaks (CAMP)

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Submission id: JP008330

Outputs for 1,4-CYCLOHEXANEDIONE; EI-B; MS

Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP008330
Synonyms: 1,4-CYCLOHEXANEDIONE
Total mass: 112.1262
Formula: H8 C6 O2

Experimental information

MS type: MS
Instrument: HITACHI M-60
Instrument type: EI-B
Ionization: 70 eV
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 15.0, 26.0, 27.0, 29.0, 38.0, 39.0, 41.0, 42.0, 45.0, 51.0, 52.0, 54.0, 55.0, 57.0, 58.0, 67.0, 70.0, 84.0, 85.0, 112.0, 113.0,
Processing time: 0:00:01.952987

Results for the quried mass "111.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.118	7	0	C1,C2,C3,C4,C5,C6,O7,O8