4-PHENYLBUTYRIC ACID; EI-B; MS

Computational Annotation of MS Peaks (CAMP)

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Submission id: JP010389

Outputs for 4-PHENYLBUTYRIC ACID; EI-B; MS

Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP010389
Synonyms: 4-PHENYLBUTYRIC ACID
Total mass: 164.2006
Formula: H12 C10 O2

Experimental information

MS type: MS
Instrument: HITACHI RMU-6M
Instrument type: EI-B
Ionization: 20 eV
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 42.0, 43.0, 45.0, 56.0, 57.0, 59.0, 60.0, 67.0, 69.0, 70.0, 72.0, 73.0, 79.0, 82.0, 83.0, 85.0, 86.0, 92.0, 96.0, 97.0, 99.0, 104.0, 105.0, 147.0, 165.0,
Processing time: 0:00:02.137354

Results for the quried mass "71.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6	0.056	1	0	C1,C2,C3,C5,C6,C9
C3O2	0.055	3	0	O12,C10,O11,C4,C8
C4O1	0.097	7	1	C4,C7,C8,C10,O11
C4O1	0.097	7	0	C4,C7,C8,C10,O12